REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1l6i_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQPIFNDKQF QEALSRQWQR YGLNSAAEMT PRQWWLAVSE ALAEMLRAQP DATA SEQUENCE FAKPVANQRH VNYISMEFLI GRLTGNNLLN LGWYQDVQDS LKAYDINLTD DATA SEQUENCE LLEEEIDPAL GNGGLGRLAA CFLDSMATVG QSATGYGLNY QYGLFRQSFV DATA SEQUENCE DGKQVEAPDD WHRSNYPWFR HNEALDVQVG IGGKVTKDGR WEPEFTITGQ DATA SEQUENCE AWDLPVVGYR NGVAQPLRLW QATHAHPFDL TKFNDGDFLR AEQQGINAEK DATA SEQUENCE LTKVLYPNDN AFEGKKLRLM QQYFQCACSV ADILRRHHLA GRKLHELADY DATA SEQUENCE EVIQLNDTHP TIAIPELLRV LIDEHQMSWD DAWAITSKTF AYTNHTLMPE DATA SEQUENCE ALERWDVKLV KGLLPRHMQI INEINTRFKT LVEKTWPGDE KVWAKLAVVH DATA SEQUENCE DKQVHMANLC VVGGFAVNGV AALHSDLVVK DLFPEYHQLW PNKFHNVTNG DATA SEQUENCE ITPRRWIKQC NPALAALLDK SLQKEWANDL DQLINLEKFA DDAKFRQQYR DATA SEQUENCE EIKQANKVRL AEFVKVRTGI EINPQAIFDI QIKRLHEYKR QHLNLLHILA DATA SEQUENCE LYKEIRENPQ ADRVPRVFLF GAKAAPGYYL AKNIIFAINK VADVINNDPL DATA SEQUENCE VGDKLKVVFL PDYCVSAAEK LIPAADISEQ ISTAGKEASG TGNMKLALNG DATA SEQUENCE ALTVGTLDGA NVEIAEKVGE ENIFIFGHTV EQVKAILAKG YDPVKWRKKD DATA SEQUENCE KVLDAVLKEL ESGKYSDGDK HAFDQMLHSI GKQGGDPYLV MADFAAYVEA DATA SEQUENCE QKQVDVLYRD QEAWTRAAIL NTARCGMFSS DRSIRDYQAR IWQAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.576 174.600 -0.041 0.000 1.055 1 S CA 0.000 58.172 58.200 -0.048 0.000 1.107 1 S CB 0.000 63.187 63.200 -0.022 0.000 0.593 2 Q N 1.482 121.256 119.800 -0.043 0.000 2.687 2 Q HA 0.071 4.409 4.340 -0.002 0.000 0.341 2 Q C -2.144 173.891 176.000 0.058 0.000 1.074 2 Q CA -0.228 55.559 55.803 -0.027 0.000 1.115 2 Q CB -0.194 28.529 28.738 -0.025 0.000 0.996 2 Q HN 0.410 nan 8.270 nan 0.000 0.397 3 P HA 0.100 nan 4.420 nan 0.000 0.272 3 P C -0.946 176.640 177.300 0.477 0.000 1.240 3 P CA -0.144 63.102 63.100 0.243 0.000 0.791 3 P CB 0.605 32.436 31.700 0.218 0.000 0.978 4 I N 1.429 122.228 120.570 0.382 0.000 2.378 4 I HA 0.304 4.473 4.170 -0.002 0.000 0.291 4 I C -0.102 175.991 176.117 -0.039 0.000 0.992 4 I CA -0.531 60.902 61.300 0.223 0.000 1.154 4 I CB 0.486 38.539 38.000 0.088 0.000 1.315 4 I HN 0.218 nan 8.210 nan 0.000 0.448 5 F N 7.079 126.708 119.950 -0.535 0.000 2.412 5 F HA 0.403 4.929 4.527 -0.002 0.000 0.348 5 F C 0.214 175.720 175.800 -0.489 0.000 1.102 5 F CA 0.104 57.462 58.000 -1.069 0.000 1.196 5 F CB 0.449 38.572 39.000 -1.461 0.000 1.144 5 F HN 0.487 nan 8.300 nan 0.000 0.541 6 N N 4.936 122.885 118.700 -1.252 0.000 2.430 6 N HA 0.076 4.815 4.740 -0.002 0.000 0.290 6 N C -0.082 174.931 175.510 -0.827 0.000 1.063 6 N CA -0.328 52.300 53.050 -0.704 0.000 0.883 6 N CB 1.504 39.757 38.487 -0.390 0.000 1.465 6 N HN 0.852 nan 8.380 nan 0.000 0.493 7 D N 2.706 122.909 120.400 -0.329 0.000 2.149 7 D HA -0.159 4.480 4.640 -0.002 0.000 0.198 7 D C 1.661 177.959 176.300 -0.002 0.000 0.990 7 D CA 1.454 55.435 54.000 -0.032 0.000 0.839 7 D CB 0.432 41.325 40.800 0.155 0.000 0.948 7 D HN 0.584 nan 8.370 nan 0.000 0.460 8 K N -0.088 120.274 120.400 -0.062 0.000 2.103 8 K HA -0.144 4.175 4.320 -0.002 0.000 0.204 8 K C 2.164 178.723 176.600 -0.068 0.000 1.052 8 K CA 0.835 57.103 56.287 -0.031 0.000 0.945 8 K CB -0.040 32.434 32.500 -0.043 0.000 0.722 8 K HN 0.207 nan 8.250 nan 0.000 0.443 9 Q N -0.402 119.308 119.800 -0.150 0.000 2.084 9 Q HA -0.178 4.161 4.340 -0.002 0.000 0.202 9 Q C 1.925 177.839 176.000 -0.142 0.000 0.978 9 Q CA 1.738 57.439 55.803 -0.171 0.000 0.844 9 Q CB -0.147 28.441 28.738 -0.250 0.000 0.898 9 Q HN 0.324 nan 8.270 nan 0.000 0.426 10 F N 1.294 121.068 119.950 -0.294 0.000 2.134 10 F HA -0.239 4.287 4.527 -0.002 0.000 0.299 10 F C 2.202 177.981 175.800 -0.035 0.000 1.097 10 F CA 1.423 59.330 58.000 -0.154 0.000 1.264 10 F CB -0.056 38.905 39.000 -0.064 0.000 1.001 10 F HN 0.055 nan 8.300 nan 0.000 0.479 11 Q N 0.370 120.196 119.800 0.043 0.000 2.084 11 Q HA -0.220 4.119 4.340 -0.002 0.000 0.202 11 Q C 2.135 178.080 176.000 -0.092 0.000 0.978 11 Q CA 1.945 57.769 55.803 0.036 0.000 0.844 11 Q CB -0.618 28.225 28.738 0.175 0.000 0.898 11 Q HN 0.597 nan 8.270 nan 0.000 0.426 12 E N 0.784 120.917 120.200 -0.112 0.000 2.110 12 E HA -0.130 4.219 4.350 -0.002 0.000 0.193 12 E C 1.944 178.387 176.600 -0.262 0.000 0.988 12 E CA 0.981 57.285 56.400 -0.160 0.000 0.804 12 E CB -0.062 29.559 29.700 -0.132 0.000 0.745 12 E HN 0.352 nan 8.360 nan 0.000 0.458 13 A N 0.815 123.460 122.820 -0.291 0.000 1.929 13 A HA -0.126 4.193 4.320 -0.002 0.000 0.216 13 A C 2.102 179.426 177.584 -0.434 0.000 1.176 13 A CA 0.776 52.615 52.037 -0.330 0.000 0.628 13 A CB -0.390 18.444 19.000 -0.276 0.000 0.816 13 A HN 0.217 nan 8.150 nan 0.000 0.444 14 L N 0.826 121.739 121.223 -0.516 0.000 2.056 14 L HA -0.135 4.204 4.340 -0.002 0.000 0.207 14 L C 2.788 179.342 176.870 -0.526 0.000 1.078 14 L CA 2.704 57.234 54.840 -0.517 0.000 0.749 14 L CB -0.646 41.057 42.059 -0.594 0.000 0.901 14 L HN 0.503 nan 8.230 nan 0.000 0.433 15 S N -0.873 114.518 115.700 -0.516 0.000 2.399 15 S HA -0.243 4.226 4.470 -0.002 0.000 0.231 15 S C 2.165 176.033 174.600 -1.220 0.000 1.022 15 S CA 1.060 58.618 58.200 -1.070 0.000 0.983 15 S CB -0.679 62.187 63.200 -0.558 0.000 0.803 15 S HN 0.518 nan 8.310 nan 0.000 0.480 16 R N 0.746 120.812 120.500 -0.723 0.000 2.127 16 R HA -0.045 4.294 4.340 -0.002 0.000 0.238 16 R C 2.669 178.595 176.300 -0.623 0.000 1.134 16 R CA 1.584 57.331 56.100 -0.589 0.000 0.975 16 R CB -0.221 29.835 30.300 -0.407 0.000 0.865 16 R HN 0.553 nan 8.270 nan 0.000 0.447 17 Q N -0.193 119.200 119.800 -0.677 0.000 2.020 17 Q HA -0.166 4.173 4.340 -0.002 0.000 0.198 17 Q C 2.076 177.520 176.000 -0.926 0.000 0.974 17 Q CA 1.469 56.818 55.803 -0.756 0.000 0.829 17 Q CB -0.527 27.830 28.738 -0.635 0.000 0.894 17 Q HN 0.630 nan 8.270 nan 0.000 0.433 18 W N 1.201 122.137 121.300 -0.607 0.000 2.467 18 W HA -0.023 4.636 4.660 -0.002 0.000 0.275 18 W C 1.312 177.668 176.519 -0.272 0.000 1.239 18 W CA 0.441 57.537 57.345 -0.415 0.000 1.266 18 W CB -0.550 28.727 29.460 -0.305 0.000 1.112 18 W HN 0.195 nan 8.180 nan 0.000 0.576 19 Q N 1.046 120.550 119.800 -0.493 0.000 2.046 19 Q HA -0.172 4.167 4.340 -0.002 0.000 0.200 19 Q C 2.490 178.359 176.000 -0.220 0.000 0.975 19 Q CA 1.881 57.498 55.803 -0.311 0.000 0.836 19 Q CB -0.477 27.959 28.738 -0.503 0.000 0.896 19 Q HN 0.233 nan 8.270 nan 0.000 0.428 20 R N -0.097 120.194 120.500 -0.349 0.000 2.159 20 R HA -0.169 4.169 4.340 -0.002 0.000 0.237 20 R C 1.090 177.332 176.300 -0.096 0.000 1.131 20 R CA 1.166 57.112 56.100 -0.257 0.000 0.982 20 R CB 0.051 30.151 30.300 -0.335 0.000 0.868 20 R HN 0.284 nan 8.270 nan 0.000 0.453 21 Y N -0.570 119.693 120.300 -0.061 0.000 2.529 21 Y HA 0.262 4.810 4.550 -0.002 0.000 0.290 21 Y C 1.484 177.379 175.900 -0.008 0.000 1.177 21 Y CA 0.303 58.383 58.100 -0.033 0.000 1.305 21 Y CB 0.030 38.474 38.460 -0.028 0.000 1.047 21 Y HN 0.325 nan 8.280 nan 0.000 0.522 22 G N 0.440 109.318 108.800 0.130 0.000 2.171 22 G HA2 -0.236 3.722 3.960 -0.002 0.000 0.238 22 G HA3 -0.236 3.722 3.960 -0.002 0.000 0.238 22 G C -0.218 174.754 174.900 0.120 0.000 1.039 22 G CA 0.032 45.190 45.100 0.096 0.000 0.759 22 G HN 0.259 nan 8.290 nan 0.000 0.501 23 L N -0.731 120.604 121.223 0.186 0.000 2.332 23 L HA 0.490 4.828 4.340 -0.002 0.000 0.269 23 L C 1.141 178.136 176.870 0.207 0.000 1.016 23 L CA -1.289 53.649 54.840 0.163 0.000 0.809 23 L CB 0.946 43.097 42.059 0.154 0.000 1.280 23 L HN -0.028 nan 8.230 nan 0.000 0.447 24 N N -0.005 118.732 118.700 0.062 0.000 2.424 24 N HA 0.001 4.740 4.740 -0.002 0.000 0.178 24 N C -0.048 175.321 175.510 -0.236 0.000 1.060 24 N CA 0.347 53.417 53.050 0.033 0.000 0.901 24 N CB 0.452 38.935 38.487 -0.005 0.000 0.979 24 N HN 0.695 nan 8.380 nan 0.000 0.451 25 S N -2.207 113.127 115.700 -0.610 0.000 2.595 25 S HA 0.599 5.068 4.470 -0.002 0.000 0.270 25 S C 0.587 174.380 174.600 -1.344 0.000 1.145 25 S CA -0.341 57.065 58.200 -1.324 0.000 0.825 25 S CB 1.231 64.070 63.200 -0.601 0.000 1.107 25 S HN -0.003 nan 8.310 nan 0.000 0.461 26 A N 1.281 123.148 122.820 -1.588 0.000 1.917 26 A HA 0.150 4.469 4.320 -0.002 0.000 0.219 26 A C 2.315 179.663 177.584 -0.392 0.000 1.182 26 A CA 2.409 53.850 52.037 -0.992 0.000 0.633 26 A CB -1.662 17.044 19.000 -0.491 0.000 0.819 26 A HN 1.829 nan 8.150 nan 0.000 0.448 27 A N -0.264 122.492 122.820 -0.106 0.000 2.131 27 A HA -0.168 4.151 4.320 -0.002 0.000 0.220 27 A C 1.749 179.362 177.584 0.047 0.000 1.158 27 A CA 1.519 53.624 52.037 0.113 0.000 0.665 27 A CB -0.511 18.529 19.000 0.068 0.000 0.795 27 A HN 0.703 nan 8.150 nan 0.000 0.460 28 E N -0.741 119.401 120.200 -0.097 0.000 2.427 28 E HA 0.041 4.390 4.350 -0.002 0.000 0.196 28 E C 0.328 176.912 176.600 -0.027 0.000 1.028 28 E CA -0.132 56.238 56.400 -0.050 0.000 0.864 28 E CB -0.119 29.536 29.700 -0.074 0.000 0.813 28 E HN 0.660 nan 8.360 nan 0.000 0.514 29 M N 1.468 121.008 119.600 -0.101 0.000 2.245 29 M HA 0.021 4.500 4.480 -0.002 0.000 0.330 29 M C 0.761 177.111 176.300 0.083 0.000 1.098 29 M CA 0.190 55.415 55.300 -0.125 0.000 1.172 29 M CB 0.677 32.946 32.600 -0.552 0.000 1.467 29 M HN -0.043 nan 8.290 nan 0.000 0.454 30 T N -0.907 113.687 114.554 0.067 0.000 2.847 30 T HA 0.293 4.641 4.350 -0.002 0.000 0.279 30 T C -2.149 172.713 174.700 0.270 0.000 0.984 30 T CA -1.748 60.438 62.100 0.142 0.000 0.988 30 T CB 0.683 69.587 68.868 0.060 0.000 1.040 30 T HN 0.366 nan 8.240 nan 0.000 0.528 31 P HA -0.156 nan 4.420 nan 0.000 0.216 31 P C 1.693 179.161 177.300 0.281 0.000 1.157 31 P CA 1.222 64.479 63.100 0.260 0.000 0.880 31 P CB 0.053 31.840 31.700 0.146 0.000 0.791 32 R N -0.380 120.233 120.500 0.189 0.000 2.075 32 R HA -0.137 4.201 4.340 -0.002 0.000 0.232 32 R C 2.383 178.825 176.300 0.237 0.000 1.126 32 R CA 1.495 57.714 56.100 0.199 0.000 0.963 32 R CB -0.438 29.908 30.300 0.076 0.000 0.858 32 R HN 0.225 nan 8.270 nan 0.000 0.435 33 Q N -0.898 118.964 119.800 0.103 0.000 2.096 33 Q HA -0.228 4.111 4.340 -0.002 0.000 0.204 33 Q C 1.837 177.933 176.000 0.160 0.000 0.982 33 Q CA 2.000 57.807 55.803 0.007 0.000 0.850 33 Q CB -0.214 28.422 28.738 -0.169 0.000 0.901 33 Q HN 0.455 nan 8.270 nan 0.000 0.422 34 W N -0.314 121.073 121.300 0.145 0.000 2.318 34 W HA -0.251 4.408 4.660 -0.002 0.000 0.313 34 W C 2.100 178.714 176.519 0.158 0.000 1.221 34 W CA 0.985 58.410 57.345 0.134 0.000 1.266 34 W CB -0.525 29.005 29.460 0.117 0.000 1.150 34 W HN 0.363 nan 8.180 nan 0.000 0.496 35 W N 0.378 121.867 121.300 0.316 0.000 2.388 35 W HA -0.161 4.497 4.660 -0.002 0.000 0.294 35 W C 1.891 178.488 176.519 0.129 0.000 1.212 35 W CA 1.749 59.218 57.345 0.207 0.000 1.271 35 W CB -0.648 28.910 29.460 0.164 0.000 1.126 35 W HN -0.214 nan 8.180 nan 0.000 0.535 36 L N 0.726 121.958 121.223 0.015 0.000 2.046 36 L HA -0.195 4.144 4.340 -0.002 0.000 0.208 36 L C 2.773 179.490 176.870 -0.254 0.000 1.077 36 L CA 1.546 56.219 54.840 -0.278 0.000 0.747 36 L CB -1.312 40.762 42.059 0.025 0.000 0.896 36 L HN 0.127 nan 8.230 nan 0.000 0.432 37 A N -0.388 122.389 122.820 -0.070 0.000 1.898 37 A HA -0.170 4.149 4.320 -0.002 0.000 0.216 37 A C 2.409 179.855 177.584 -0.231 0.000 1.181 37 A CA 1.725 53.657 52.037 -0.175 0.000 0.620 37 A CB -0.943 17.949 19.000 -0.180 0.000 0.819 37 A HN 0.273 nan 8.150 nan 0.000 0.442 38 V N -0.565 119.286 119.914 -0.105 0.000 2.343 38 V HA -0.176 3.943 4.120 -0.002 0.000 0.247 38 V C 2.203 178.194 176.094 -0.172 0.000 1.051 38 V CA 3.052 65.337 62.300 -0.025 0.000 1.036 38 V CB -0.748 31.241 31.823 0.277 0.000 0.654 38 V HN 0.439 nan 8.190 nan 0.000 0.451 39 S N -0.051 115.382 115.700 -0.445 0.000 2.368 39 S HA -0.151 4.318 4.470 -0.002 0.000 0.225 39 S C 1.908 175.982 174.600 -0.877 0.000 1.030 39 S CA 1.762 59.523 58.200 -0.732 0.000 0.999 39 S CB -0.387 62.134 63.200 -1.131 0.000 0.844 39 S HN 0.759 nan 8.310 nan 0.000 0.459 40 E N 1.087 120.894 120.200 -0.655 0.000 2.152 40 E HA -0.015 4.333 4.350 -0.002 0.000 0.192 40 E C 2.339 178.695 176.600 -0.406 0.000 0.983 40 E CA 0.841 56.920 56.400 -0.534 0.000 0.818 40 E CB -0.211 29.252 29.700 -0.396 0.000 0.758 40 E HN 0.488 nan 8.360 nan 0.000 0.467 41 A N 1.328 123.941 122.820 -0.345 0.000 1.930 41 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 41 A C 2.238 179.748 177.584 -0.123 0.000 1.175 41 A CA 0.888 52.759 52.037 -0.276 0.000 0.627 41 A CB -0.561 18.195 19.000 -0.406 0.000 0.815 41 A HN 0.128 nan 8.150 nan 0.000 0.443 42 L N -0.900 120.279 121.223 -0.073 0.000 2.093 42 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 42 L C 3.062 179.943 176.870 0.018 0.000 1.085 42 L CA 0.941 55.862 54.840 0.136 0.000 0.755 42 L CB -0.489 41.702 42.059 0.220 0.000 0.904 42 L HN 0.439 nan 8.230 nan 0.000 0.435 43 A N -0.315 122.262 122.820 -0.406 0.000 1.972 43 A HA -0.204 4.115 4.320 -0.002 0.000 0.219 43 A C 2.168 179.721 177.584 -0.051 0.000 1.169 43 A CA 1.443 53.326 52.037 -0.256 0.000 0.635 43 A CB -0.338 18.351 19.000 -0.519 0.000 0.810 43 A HN 0.424 nan 8.150 nan 0.000 0.446 44 E N -0.722 119.422 120.200 -0.095 0.000 2.047 44 E HA -0.171 4.178 4.350 -0.002 0.000 0.191 44 E C 2.090 178.700 176.600 0.016 0.000 0.987 44 E CA 1.413 57.778 56.400 -0.058 0.000 0.799 44 E CB -0.239 29.397 29.700 -0.107 0.000 0.752 44 E HN 0.668 nan 8.360 nan 0.000 0.449 45 M N 0.290 119.933 119.600 0.072 0.000 2.117 45 M HA -0.173 4.306 4.480 -0.002 0.000 0.262 45 M C 2.431 178.876 176.300 0.242 0.000 1.065 45 M CA 0.954 56.356 55.300 0.170 0.000 1.114 45 M CB -0.215 32.556 32.600 0.285 0.000 1.361 45 M HN 0.124 nan 8.290 nan 0.000 0.408 46 L N 0.634 122.000 121.223 0.238 0.000 2.042 46 L HA -0.189 4.150 4.340 -0.002 0.000 0.210 46 L C 2.274 179.216 176.870 0.120 0.000 1.076 46 L CA 1.954 56.896 54.840 0.169 0.000 0.749 46 L CB -0.378 41.789 42.059 0.181 0.000 0.893 46 L HN 0.158 nan 8.230 nan 0.000 0.432 47 R N -0.615 119.944 120.500 0.098 0.000 2.276 47 R HA 0.129 4.468 4.340 -0.002 0.000 0.203 47 R C 1.899 178.231 176.300 0.054 0.000 1.017 47 R CA 0.654 56.795 56.100 0.067 0.000 1.010 47 R CB -0.386 29.941 30.300 0.045 0.000 0.900 47 R HN 0.448 nan 8.270 nan 0.000 0.469 48 A N 0.779 123.635 122.820 0.059 0.000 2.238 48 A HA 0.009 4.327 4.320 -0.002 0.000 0.208 48 A C 0.462 178.084 177.584 0.064 0.000 1.177 48 A CA 0.293 52.357 52.037 0.044 0.000 0.804 48 A CB 0.139 19.155 19.000 0.026 0.000 0.823 48 A HN 0.072 nan 8.150 nan 0.000 0.482 49 Q N 0.957 120.812 119.800 0.091 0.000 2.293 49 Q HA 0.358 4.697 4.340 -0.002 0.000 0.251 49 Q C -2.369 173.683 176.000 0.086 0.000 0.930 49 Q CA -1.954 53.908 55.803 0.097 0.000 0.893 49 Q CB 0.259 29.061 28.738 0.107 0.000 1.215 49 Q HN 0.231 nan 8.270 nan 0.000 0.425 50 P HA 0.024 nan 4.420 nan 0.000 0.269 50 P C -0.525 176.845 177.300 0.116 0.000 1.209 50 P CA -0.244 62.913 63.100 0.096 0.000 0.776 50 P CB 0.219 31.960 31.700 0.069 0.000 0.876 51 F N 2.256 122.206 119.950 -0.000 0.000 2.506 51 F HA 0.373 4.898 4.527 -0.002 0.000 0.371 51 F C 0.091 175.888 175.800 -0.005 0.000 1.078 51 F CA -0.621 57.376 58.000 -0.005 0.000 1.195 51 F CB 0.071 39.066 39.000 -0.009 0.000 1.099 51 F HN 0.376 nan 8.300 nan 0.000 0.548 52 A N 7.603 130.020 122.820 -0.673 0.000 2.276 52 A HA 0.415 4.733 4.320 -0.002 0.000 0.300 52 A C -0.436 176.508 177.584 -1.066 0.000 1.235 52 A CA -0.922 50.745 52.037 -0.616 0.000 0.867 52 A CB 0.028 18.822 19.000 -0.343 0.000 1.137 52 A HN 0.814 nan 8.150 nan 0.000 0.527 53 K N 3.210 123.179 120.400 -0.718 0.000 2.237 53 K HA 0.540 4.858 4.320 -0.002 0.000 0.270 53 K C -2.629 173.838 176.600 -0.222 0.000 1.015 53 K CA -1.217 54.802 56.287 -0.447 0.000 0.949 53 K CB 0.021 32.554 32.500 0.054 0.000 0.976 53 K HN 0.349 nan 8.250 nan 0.000 0.472 54 P HA 0.029 nan 4.420 nan 0.000 0.275 54 P C -0.578 176.720 177.300 -0.003 0.000 1.266 54 P CA -0.787 62.289 63.100 -0.040 0.000 0.793 54 P CB 0.371 32.087 31.700 0.026 0.000 1.074 55 V N 0.123 120.038 119.914 0.002 0.000 2.763 55 V HA 0.258 4.377 4.120 -0.002 0.000 0.306 55 V C 0.857 176.971 176.094 0.034 0.000 1.059 55 V CA 0.291 62.600 62.300 0.014 0.000 1.138 55 V CB -0.007 31.824 31.823 0.013 0.000 0.940 55 V HN 0.735 nan 8.190 nan 0.000 0.489 56 A N 3.620 126.461 122.820 0.035 0.000 2.242 56 A HA 0.532 4.851 4.320 -0.002 0.000 0.304 56 A C 0.627 178.236 177.584 0.041 0.000 1.100 56 A CA -0.357 51.708 52.037 0.047 0.000 0.860 56 A CB -0.152 18.875 19.000 0.047 0.000 1.168 56 A HN 1.068 nan 8.150 nan 0.000 0.503 57 N N -0.588 118.140 118.700 0.047 0.000 2.705 57 N HA -0.204 4.535 4.740 -0.002 0.000 0.255 57 N C -0.655 174.864 175.510 0.016 0.000 1.008 57 N CA 1.124 54.191 53.050 0.028 0.000 0.742 57 N CB -1.276 37.220 38.487 0.014 0.000 0.906 57 N HN 0.759 nan 8.380 nan 0.000 0.541 58 Q N -1.084 118.737 119.800 0.035 0.000 2.416 58 Q HA 0.493 4.832 4.340 -0.002 0.000 0.281 58 Q C -0.863 175.164 176.000 0.045 0.000 1.067 58 Q CA -1.218 54.602 55.803 0.028 0.000 0.809 58 Q CB 1.745 30.510 28.738 0.045 0.000 1.418 58 Q HN 0.109 nan 8.270 nan 0.000 0.411 59 R N 0.840 121.354 120.500 0.024 0.000 2.640 59 R HA 0.044 4.383 4.340 -0.002 0.000 0.270 59 R C -0.294 176.052 176.300 0.076 0.000 1.024 59 R CA -0.112 56.018 56.100 0.049 0.000 1.085 59 R CB 0.024 30.334 30.300 0.016 0.000 0.963 59 R HN 0.601 nan 8.270 nan 0.000 0.426 60 H N 1.247 120.325 119.070 0.014 0.000 2.610 60 H HA 0.187 4.742 4.556 -0.002 0.000 0.336 60 H C -0.700 174.568 175.328 -0.101 0.000 1.087 60 H CA -0.274 55.764 56.048 -0.016 0.000 1.405 60 H CB 0.805 30.587 29.762 0.034 0.000 1.460 60 H HN 0.185 nan 8.280 nan 0.000 0.538 61 V N 6.033 125.654 119.914 -0.489 0.000 2.439 61 V HA 0.164 4.283 4.120 -0.002 0.000 0.282 61 V C -0.204 175.679 176.094 -0.352 0.000 1.039 61 V CA -0.795 61.176 62.300 -0.548 0.000 0.913 61 V CB 1.175 32.424 31.823 -0.957 0.000 0.983 61 V HN 0.853 nan 8.190 nan 0.000 0.460 62 N N 3.959 122.599 118.700 -0.100 0.000 2.476 62 N HA 0.266 5.005 4.740 -0.002 0.000 0.257 62 N C -1.252 174.379 175.510 0.201 0.000 0.970 62 N CA -0.368 52.785 53.050 0.172 0.000 0.938 62 N CB 1.815 40.515 38.487 0.355 0.000 1.144 62 N HN 0.679 nan 8.380 nan 0.000 0.500 63 Y N 3.067 123.440 120.300 0.121 0.000 2.404 63 Y HA 0.390 4.938 4.550 -0.002 0.000 0.344 63 Y C -0.027 176.111 175.900 0.395 0.000 0.970 63 Y CA -0.628 57.595 58.100 0.204 0.000 1.180 63 Y CB 0.511 39.080 38.460 0.181 0.000 1.138 63 Y HN 0.382 nan 8.280 nan 0.000 0.510 64 I N 5.273 125.908 120.570 0.108 0.000 2.312 64 I HA 0.329 4.498 4.170 -0.002 0.000 0.290 64 I C -0.111 176.088 176.117 0.137 0.000 1.008 64 I CA -0.377 61.070 61.300 0.246 0.000 1.226 64 I CB 1.129 39.257 38.000 0.214 0.000 1.371 64 I HN 0.470 nan 8.210 nan 0.000 0.468 65 S N 5.800 121.654 115.700 0.256 0.000 2.546 65 S HA 0.453 4.922 4.470 -0.002 0.000 0.274 65 S C 0.610 175.305 174.600 0.159 0.000 1.121 65 S CA -0.715 57.530 58.200 0.075 0.000 0.887 65 S CB 2.004 65.019 63.200 -0.309 0.000 1.094 65 S HN 0.653 nan 8.310 nan 0.000 0.474 66 M N 1.978 121.675 119.600 0.161 0.000 2.296 66 M HA 0.005 4.484 4.480 -0.002 0.000 0.265 66 M C 0.449 176.829 176.300 0.135 0.000 1.064 66 M CA 1.265 56.652 55.300 0.145 0.000 1.109 66 M CB -0.413 32.168 32.600 -0.032 0.000 1.396 66 M HN 0.733 nan 8.290 nan 0.000 0.430 67 E N -0.728 119.465 120.200 -0.010 0.000 2.266 67 E HA 0.517 4.866 4.350 -0.002 0.000 0.268 67 E C -1.372 175.067 176.600 -0.269 0.000 0.879 67 E CA -0.689 55.697 56.400 -0.025 0.000 0.762 67 E CB 1.494 31.160 29.700 -0.056 0.000 1.199 67 E HN -0.030 nan 8.360 nan 0.000 0.422 68 F N 2.070 122.057 119.950 0.062 0.000 2.771 68 F HA 0.261 4.787 4.527 -0.001 0.000 0.365 68 F C -0.976 174.804 175.800 -0.033 0.000 1.169 68 F CA -0.821 57.196 58.000 0.027 0.000 1.093 68 F CB 1.605 40.619 39.000 0.023 0.000 1.363 68 F HN 0.397 nan 8.300 nan 0.000 0.496 69 L N 5.879 127.148 121.223 0.077 0.000 2.358 69 L HA 0.385 4.724 4.340 -0.002 0.000 0.274 69 L C 0.972 177.856 176.870 0.023 0.000 1.136 69 L CA 0.231 55.077 54.840 0.011 0.000 0.970 69 L CB -0.122 41.934 42.059 -0.005 0.000 1.314 69 L HN 0.643 nan 8.230 nan 0.000 0.427 70 I N 0.289 120.848 120.570 -0.018 0.000 3.226 70 I HA 0.434 4.603 4.170 -0.002 0.000 0.277 70 I C 1.225 177.298 176.117 -0.073 0.000 1.243 70 I CA 0.273 61.553 61.300 -0.032 0.000 1.459 70 I CB -0.757 37.199 38.000 -0.074 0.000 1.093 70 I HN 0.572 nan 8.210 nan 0.000 0.453 71 G N 1.961 110.704 108.800 -0.094 0.000 2.796 71 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.226 71 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.226 71 G C -0.314 174.541 174.900 -0.074 0.000 1.381 71 G CA -0.410 44.632 45.100 -0.097 0.000 0.867 71 G HN 0.534 nan 8.290 nan 0.000 0.552 72 R N -0.807 119.676 120.500 -0.029 0.000 2.640 72 R HA 0.280 4.619 4.340 -0.002 0.000 0.270 72 R C 0.964 177.295 176.300 0.052 0.000 1.024 72 R CA -0.317 55.829 56.100 0.077 0.000 1.085 72 R CB 0.256 30.605 30.300 0.081 0.000 0.963 72 R HN 0.331 nan 8.270 nan 0.000 0.426 73 L N 1.825 123.133 121.223 0.142 0.000 2.537 73 L HA 0.054 4.393 4.340 -0.002 0.000 0.224 73 L C 1.851 178.645 176.870 -0.127 0.000 1.065 73 L CA 1.386 56.182 54.840 -0.074 0.000 0.860 73 L CB -0.110 41.830 42.059 -0.198 0.000 1.086 73 L HN 0.692 nan 8.230 nan 0.000 0.482 74 T N -0.715 113.981 114.554 0.238 0.000 2.708 74 T HA -0.113 4.236 4.350 -0.002 0.000 0.266 74 T C 1.754 176.602 174.700 0.246 0.000 1.037 74 T CA 1.454 63.794 62.100 0.401 0.000 1.146 74 T CB -0.496 68.775 68.868 0.671 0.000 0.865 74 T HN 0.452 nan 8.240 nan 0.000 0.435 75 G N 1.167 110.108 108.800 0.234 0.000 2.402 75 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.216 75 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.216 75 G C 1.526 176.511 174.900 0.143 0.000 1.162 75 G CA 1.082 46.330 45.100 0.247 0.000 0.777 75 G HN 0.521 nan 8.290 nan 0.000 0.539 76 N N 1.032 119.738 118.700 0.010 0.000 2.104 76 N HA -0.131 4.608 4.740 -0.002 0.000 0.190 76 N C 2.039 177.483 175.510 -0.109 0.000 1.024 76 N CA 1.682 54.686 53.050 -0.077 0.000 0.853 76 N CB -0.190 38.211 38.487 -0.143 0.000 1.008 76 N HN 0.165 nan 8.380 nan 0.000 0.424 77 N N 0.263 118.848 118.700 -0.193 0.000 2.120 77 N HA -0.087 4.652 4.740 -0.002 0.000 0.188 77 N C 1.674 177.095 175.510 -0.149 0.000 1.024 77 N CA 0.724 53.610 53.050 -0.273 0.000 0.852 77 N CB -0.423 37.713 38.487 -0.585 0.000 1.003 77 N HN 0.320 nan 8.380 nan 0.000 0.424 78 L N 0.464 121.693 121.223 0.010 0.000 1.994 78 L HA -0.143 4.196 4.340 -0.002 0.000 0.208 78 L C 2.373 179.291 176.870 0.080 0.000 1.071 78 L CA 0.846 55.748 54.840 0.104 0.000 0.745 78 L CB -0.517 41.678 42.059 0.226 0.000 0.892 78 L HN 0.154 nan 8.230 nan 0.000 0.431 79 L N 0.062 121.350 121.223 0.109 0.000 2.012 79 L HA -0.263 4.075 4.340 -0.002 0.000 0.210 79 L C 2.302 179.146 176.870 -0.043 0.000 1.073 79 L CA 1.718 56.579 54.840 0.036 0.000 0.748 79 L CB -0.388 41.668 42.059 -0.006 0.000 0.891 79 L HN 0.294 nan 8.230 nan 0.000 0.431 80 N N -0.277 118.375 118.700 -0.080 0.000 2.223 80 N HA -0.142 4.597 4.740 -0.002 0.000 0.185 80 N C 1.790 177.113 175.510 -0.311 0.000 1.016 80 N CA 1.398 54.362 53.050 -0.143 0.000 0.863 80 N CB -0.341 38.089 38.487 -0.095 0.000 0.983 80 N HN 0.378 nan 8.380 nan 0.000 0.429 81 L N -0.777 120.231 121.223 -0.358 0.000 2.291 81 L HA 0.071 4.410 4.340 -0.002 0.000 0.214 81 L C 1.090 177.739 176.870 -0.368 0.000 1.120 81 L CA 0.620 55.127 54.840 -0.556 0.000 0.799 81 L CB -0.397 40.967 42.059 -1.159 0.000 0.925 81 L HN 0.264 nan 8.230 nan 0.000 0.446 82 G N -1.679 107.021 108.800 -0.167 0.000 2.171 82 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.238 82 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.238 82 G C -0.053 175.030 174.900 0.304 0.000 1.039 82 G CA -0.048 45.069 45.100 0.028 0.000 0.759 82 G HN 0.335 nan 8.290 nan 0.000 0.501 83 W N -1.336 119.948 121.300 -0.027 0.000 2.870 83 W HA 0.395 5.054 4.660 -0.002 0.000 0.358 83 W C 1.528 177.943 176.519 -0.174 0.000 1.043 83 W CA -0.878 56.394 57.345 -0.123 0.000 1.692 83 W CB -0.894 28.544 29.460 -0.038 0.000 1.100 83 W HN 0.328 nan 8.180 nan 0.000 0.557 84 Y N 2.135 122.459 120.300 0.041 0.000 2.097 84 Y HA -0.366 4.183 4.550 -0.002 0.000 0.282 84 Y C 2.738 178.584 175.900 -0.091 0.000 1.152 84 Y CA 3.036 61.126 58.100 -0.016 0.000 1.136 84 Y CB -0.419 38.041 38.460 -0.002 0.000 0.975 84 Y HN 0.011 nan 8.280 nan 0.000 0.498 85 Q N 0.310 120.196 119.800 0.144 0.000 2.119 85 Q HA -0.173 4.166 4.340 -0.002 0.000 0.201 85 Q C 1.721 177.616 176.000 -0.174 0.000 0.972 85 Q CA 2.093 57.909 55.803 0.021 0.000 0.847 85 Q CB -0.308 28.456 28.738 0.045 0.000 0.903 85 Q HN 0.450 nan 8.270 nan 0.000 0.433 86 D N -0.619 119.587 120.400 -0.323 0.000 2.087 86 D HA -0.152 4.487 4.640 -0.002 0.000 0.192 86 D C 1.934 177.811 176.300 -0.704 0.000 0.993 86 D CA 1.758 55.408 54.000 -0.583 0.000 0.828 86 D CB -0.351 39.793 40.800 -1.094 0.000 0.968 86 D HN 0.190 nan 8.370 nan 0.000 0.448 87 V N 0.938 120.346 119.914 -0.843 0.000 2.332 87 V HA -0.278 3.841 4.120 -0.002 0.000 0.248 87 V C 2.619 178.452 176.094 -0.435 0.000 1.055 87 V CA 1.890 63.761 62.300 -0.716 0.000 1.038 87 V CB -0.622 30.890 31.823 -0.518 0.000 0.651 87 V HN 0.234 nan 8.190 nan 0.000 0.450 88 Q N -0.355 119.236 119.800 -0.349 0.000 2.124 88 Q HA -0.255 4.084 4.340 -0.002 0.000 0.202 88 Q C 1.927 177.844 176.000 -0.138 0.000 0.977 88 Q CA 2.044 57.712 55.803 -0.225 0.000 0.850 88 Q CB -0.094 28.552 28.738 -0.153 0.000 0.901 88 Q HN 0.649 nan 8.270 nan 0.000 0.429 89 D N -0.424 119.888 120.400 -0.146 0.000 2.117 89 D HA -0.086 4.552 4.640 -0.002 0.000 0.198 89 D C 2.004 178.281 176.300 -0.039 0.000 0.982 89 D CA 1.325 55.277 54.000 -0.081 0.000 0.828 89 D CB -0.218 40.533 40.800 -0.082 0.000 0.967 89 D HN 0.156 nan 8.370 nan 0.000 0.464 90 S N 0.389 116.043 115.700 -0.076 0.000 2.400 90 S HA -0.074 4.394 4.470 -0.002 0.000 0.232 90 S C 2.080 176.826 174.600 0.243 0.000 1.025 90 S CA 0.515 58.764 58.200 0.081 0.000 0.993 90 S CB -0.131 63.092 63.200 0.038 0.000 0.808 90 S HN 0.262 nan 8.310 nan 0.000 0.478 91 L N 1.670 122.976 121.223 0.137 0.000 2.418 91 L HA -0.011 4.328 4.340 -0.002 0.000 0.218 91 L C 2.455 179.427 176.870 0.171 0.000 1.125 91 L CA 0.610 55.586 54.840 0.227 0.000 0.835 91 L CB -0.403 41.690 42.059 0.056 0.000 0.953 91 L HN 0.386 nan 8.230 nan 0.000 0.454 92 K N 1.019 121.469 120.400 0.083 0.000 2.063 92 K HA -0.151 4.168 4.320 -0.002 0.000 0.208 92 K C 1.965 178.596 176.600 0.051 0.000 1.048 92 K CA 1.512 57.822 56.287 0.039 0.000 0.928 92 K CB -0.564 31.941 32.500 0.009 0.000 0.713 92 K HN 0.149 nan 8.250 nan 0.000 0.442 93 A N 0.427 123.282 122.820 0.058 0.000 2.245 93 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 93 A C 0.816 178.329 177.584 -0.119 0.000 1.171 93 A CA 0.966 52.974 52.037 -0.049 0.000 0.688 93 A CB -0.653 18.280 19.000 -0.112 0.000 0.781 93 A HN 0.556 nan 8.150 nan 0.000 0.479 94 Y N -0.951 119.377 120.300 0.047 0.000 2.557 94 Y HA 0.162 4.711 4.550 -0.002 0.000 0.247 94 Y C 0.071 175.946 175.900 -0.041 0.000 1.164 94 Y CA -0.340 57.797 58.100 0.062 0.000 1.218 94 Y CB 0.609 39.172 38.460 0.171 0.000 1.210 94 Y HN 0.353 nan 8.280 nan 0.000 0.529 95 D N 0.231 120.666 120.400 0.058 0.000 2.870 95 D HA -0.168 4.470 4.640 -0.002 0.000 0.228 95 D C -0.567 175.668 176.300 -0.109 0.000 1.147 95 D CA 0.653 54.642 54.000 -0.018 0.000 0.757 95 D CB -1.156 39.636 40.800 -0.013 0.000 1.091 95 D HN 0.170 nan 8.370 nan 0.000 0.429 96 I N 1.079 121.550 120.570 -0.164 0.000 2.359 96 I HA 0.189 4.357 4.170 -0.002 0.000 0.294 96 I C 0.799 176.818 176.117 -0.164 0.000 0.987 96 I CA -0.628 60.484 61.300 -0.313 0.000 1.225 96 I CB 1.322 38.949 38.000 -0.623 0.000 1.366 96 I HN -0.085 nan 8.210 nan 0.000 0.466 97 N N 4.793 123.415 118.700 -0.130 0.000 2.426 97 N HA 0.160 4.899 4.740 -0.002 0.000 0.257 97 N C 0.924 176.402 175.510 -0.053 0.000 1.002 97 N CA -0.488 52.522 53.050 -0.066 0.000 0.942 97 N CB 0.977 39.441 38.487 -0.038 0.000 1.112 97 N HN 0.501 nan 8.380 nan 0.000 0.499 98 L N 3.583 124.776 121.223 -0.051 0.000 2.013 98 L HA -0.142 4.197 4.340 -0.002 0.000 0.212 98 L C 1.885 178.767 176.870 0.020 0.000 1.073 98 L CA 1.993 56.803 54.840 -0.049 0.000 0.753 98 L CB -1.069 40.888 42.059 -0.170 0.000 0.890 98 L HN 0.696 nan 8.230 nan 0.000 0.432 99 T N -0.442 114.142 114.554 0.050 0.000 2.699 99 T HA -0.188 4.161 4.350 -0.002 0.000 0.268 99 T C 1.438 176.182 174.700 0.072 0.000 1.036 99 T CA 1.744 63.900 62.100 0.094 0.000 1.147 99 T CB -0.293 68.628 68.868 0.089 0.000 0.862 99 T HN 0.438 nan 8.240 nan 0.000 0.446 100 D N 0.543 120.970 120.400 0.045 0.000 2.149 100 D HA 0.012 4.651 4.640 -0.002 0.000 0.201 100 D C 1.983 178.316 176.300 0.055 0.000 0.972 100 D CA 0.322 54.346 54.000 0.040 0.000 0.835 100 D CB -0.495 40.314 40.800 0.015 0.000 0.966 100 D HN 0.170 nan 8.370 nan 0.000 0.476 101 L N 0.937 122.199 121.223 0.065 0.000 2.042 101 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 101 L C 2.063 179.061 176.870 0.213 0.000 1.076 101 L CA 1.389 56.314 54.840 0.142 0.000 0.749 101 L CB -0.705 41.441 42.059 0.145 0.000 0.893 101 L HN 0.041 nan 8.230 nan 0.000 0.432 102 L N -0.726 120.609 121.223 0.187 0.000 2.131 102 L HA -0.176 4.162 4.340 -0.002 0.000 0.210 102 L C 2.331 179.224 176.870 0.039 0.000 1.092 102 L CA 0.997 55.960 54.840 0.204 0.000 0.759 102 L CB -0.632 41.544 42.059 0.195 0.000 0.903 102 L HN 0.346 nan 8.230 nan 0.000 0.435 103 E N -0.102 120.106 120.200 0.014 0.000 2.418 103 E HA -0.144 4.205 4.350 -0.002 0.000 0.197 103 E C 1.754 178.291 176.600 -0.105 0.000 1.026 103 E CA 0.401 56.784 56.400 -0.028 0.000 0.862 103 E CB 0.032 29.745 29.700 0.022 0.000 0.799 103 E HN 0.497 nan 8.360 nan 0.000 0.518 104 E N 1.093 121.186 120.200 -0.178 0.000 2.204 104 E HA -0.117 4.231 4.350 -0.002 0.000 0.194 104 E C 0.811 177.073 176.600 -0.563 0.000 0.989 104 E CA 0.332 56.572 56.400 -0.266 0.000 0.824 104 E CB -0.113 29.498 29.700 -0.147 0.000 0.756 104 E HN 0.387 nan 8.360 nan 0.000 0.477 105 E N 1.070 120.724 120.200 -0.910 0.000 2.324 105 E HA 0.066 4.414 4.350 -0.002 0.000 0.271 105 E C -0.452 175.997 176.600 -0.252 0.000 1.028 105 E CA -0.140 55.725 56.400 -0.891 0.000 0.890 105 E CB 0.382 29.675 29.700 -0.678 0.000 1.004 105 E HN -0.016 nan 8.360 nan 0.000 0.431 106 I N 4.944 125.468 120.570 -0.077 0.000 2.352 106 I HA 0.015 4.184 4.170 -0.002 0.000 0.290 106 I C -0.132 176.045 176.117 0.099 0.000 1.036 106 I CA -0.611 60.731 61.300 0.069 0.000 1.336 106 I CB 0.741 38.857 38.000 0.193 0.000 1.407 106 I HN 0.531 nan 8.210 nan 0.000 0.497 107 D N 9.144 129.548 120.400 0.007 0.000 2.583 107 D HA 0.003 4.641 4.640 -0.002 0.000 0.232 107 D C -2.247 173.917 176.300 -0.227 0.000 1.128 107 D CA -0.536 53.416 54.000 -0.081 0.000 0.859 107 D CB -0.025 40.701 40.800 -0.124 0.000 1.169 107 D HN 0.210 nan 8.370 nan 0.000 0.481 108 P HA 0.089 nan 4.420 nan 0.000 0.262 108 P C -0.808 175.839 177.300 -1.088 0.000 1.182 108 P CA 0.017 62.288 63.100 -1.382 0.000 0.761 108 P CB 0.519 31.369 31.700 -1.417 0.000 0.795 109 A N 4.371 126.339 122.820 -1.420 0.000 2.923 109 A HA 0.282 4.601 4.320 -0.002 0.000 0.306 109 A C 0.582 177.942 177.584 -0.373 0.000 1.542 109 A CA -0.117 51.578 52.037 -0.569 0.000 1.225 109 A CB -0.992 17.853 19.000 -0.258 0.000 1.147 109 A HN 0.600 nan 8.150 nan 0.000 0.542 110 L N 1.173 122.227 121.223 -0.281 0.000 2.966 110 L HA 0.361 4.700 4.340 -0.002 0.000 0.262 110 L C 1.006 177.901 176.870 0.043 0.000 1.165 110 L CA 0.217 55.041 54.840 -0.028 0.000 0.978 110 L CB 0.723 42.723 42.059 -0.099 0.000 1.337 110 L HN 0.675 nan 8.230 nan 0.000 0.563 111 G N -1.228 107.533 108.800 -0.064 0.000 2.708 111 G HA2 0.266 4.224 3.960 -0.002 0.000 0.289 111 G HA3 0.266 4.224 3.960 -0.002 0.000 0.289 111 G C -0.530 174.324 174.900 -0.077 0.000 1.416 111 G CA -0.159 44.908 45.100 -0.056 0.000 0.829 111 G HN -0.183 nan 8.290 nan 0.000 0.480 112 N N -1.517 117.176 118.700 -0.011 0.000 3.170 112 N HA 0.350 5.089 4.740 -0.002 0.000 0.235 112 N C 1.063 176.606 175.510 0.056 0.000 1.037 112 N CA 1.294 54.372 53.050 0.046 0.000 1.160 112 N CB 0.619 39.233 38.487 0.213 0.000 1.606 112 N HN 0.829 nan 8.380 nan 0.000 0.580 113 G N -1.120 107.729 108.800 0.081 0.000 3.265 113 G HA2 0.363 4.321 3.960 -0.002 0.000 0.171 113 G HA3 0.363 4.321 3.960 -0.002 0.000 0.171 113 G C 0.756 175.676 174.900 0.032 0.000 1.110 113 G CA 0.300 45.440 45.100 0.067 0.000 0.855 113 G HN 0.339 nan 8.290 nan 0.000 0.658 114 G N 0.188 109.005 108.800 0.028 0.000 2.505 114 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.220 114 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.220 114 G C 1.796 176.664 174.900 -0.054 0.000 1.145 114 G CA 1.736 46.830 45.100 -0.010 0.000 0.761 114 G HN 0.619 nan 8.290 nan 0.000 0.571 115 L N 1.391 122.573 121.223 -0.068 0.000 2.056 115 L HA 0.236 4.574 4.340 -0.002 0.000 0.207 115 L C 2.696 179.474 176.870 -0.154 0.000 1.078 115 L CA 2.421 57.157 54.840 -0.174 0.000 0.749 115 L CB -1.014 40.915 42.059 -0.217 0.000 0.901 115 L HN 0.126 nan 8.230 nan 0.000 0.433 116 G N -1.041 107.704 108.800 -0.091 0.000 2.421 116 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.217 116 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.217 116 G C 1.721 176.573 174.900 -0.079 0.000 1.143 116 G CA 0.604 45.632 45.100 -0.121 0.000 0.784 116 G HN 0.333 nan 8.290 nan 0.000 0.541 117 R N -0.151 120.323 120.500 -0.042 0.000 2.148 117 R HA 0.146 4.485 4.340 -0.002 0.000 0.223 117 R C 2.230 178.501 176.300 -0.049 0.000 1.088 117 R CA 0.646 56.748 56.100 0.003 0.000 0.985 117 R CB -0.645 29.673 30.300 0.030 0.000 0.880 117 R HN 0.376 nan 8.270 nan 0.000 0.451 118 L N -0.312 120.811 121.223 -0.167 0.000 2.044 118 L HA 0.151 4.490 4.340 -0.002 0.000 0.205 118 L C 2.042 178.611 176.870 -0.502 0.000 1.075 118 L CA 1.956 56.554 54.840 -0.404 0.000 0.747 118 L CB -0.834 40.961 42.059 -0.440 0.000 0.903 118 L HN 0.182 nan 8.230 nan 0.000 0.435 119 A N -0.300 122.357 122.820 -0.270 0.000 1.917 119 A HA -0.212 4.106 4.320 -0.002 0.000 0.219 119 A C 2.419 180.061 177.584 0.096 0.000 1.182 119 A CA 2.063 54.030 52.037 -0.116 0.000 0.633 119 A CB -1.208 17.586 19.000 -0.342 0.000 0.819 119 A HN 0.579 nan 8.150 nan 0.000 0.448 120 A N -1.351 121.546 122.820 0.129 0.000 1.930 120 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 120 A C 2.298 179.960 177.584 0.131 0.000 1.175 120 A CA 1.581 53.737 52.037 0.198 0.000 0.627 120 A CB -1.130 17.966 19.000 0.159 0.000 0.815 120 A HN 0.601 nan 8.150 nan 0.000 0.443 121 C N -1.502 117.866 119.300 0.113 0.000 2.446 121 C HA -0.010 4.448 4.460 -0.002 0.000 0.277 121 C C 2.402 177.565 174.990 0.288 0.000 1.275 121 C CA 0.457 59.585 59.018 0.184 0.000 1.727 121 C CB -1.539 26.317 27.740 0.193 0.000 2.010 121 C HN 0.611 nan 8.230 nan 0.000 0.486 122 F N 1.386 121.339 119.950 0.006 0.000 2.126 122 F HA -0.107 4.418 4.527 -0.003 0.000 0.299 122 F C 2.267 178.012 175.800 -0.091 0.000 1.096 122 F CA 1.041 58.996 58.000 -0.075 0.000 1.255 122 F CB -1.479 37.363 39.000 -0.265 0.000 0.997 122 F HN 0.197 nan 8.300 nan 0.000 0.479 123 L N -0.334 120.963 121.223 0.124 0.000 2.012 123 L HA -0.267 4.072 4.340 -0.002 0.000 0.210 123 L C 2.434 179.314 176.870 0.017 0.000 1.073 123 L CA 2.051 56.911 54.840 0.033 0.000 0.748 123 L CB -0.819 41.259 42.059 0.031 0.000 0.891 123 L HN 0.190 nan 8.230 nan 0.000 0.431 124 D N -0.320 120.106 120.400 0.044 0.000 2.123 124 D HA -0.177 4.462 4.640 -0.002 0.000 0.196 124 D C 2.072 178.389 176.300 0.027 0.000 0.992 124 D CA 1.643 55.654 54.000 0.018 0.000 0.833 124 D CB 0.322 41.135 40.800 0.021 0.000 0.954 124 D HN 0.227 nan 8.370 nan 0.000 0.455 125 S N -0.121 115.619 115.700 0.067 0.000 2.368 125 S HA -0.089 4.380 4.470 -0.002 0.000 0.224 125 S C 2.133 176.745 174.600 0.019 0.000 1.029 125 S CA 0.882 59.112 58.200 0.050 0.000 0.988 125 S CB -0.114 63.136 63.200 0.083 0.000 0.838 125 S HN 0.360 nan 8.310 nan 0.000 0.462 126 M N 0.924 120.528 119.600 0.008 0.000 2.213 126 M HA -0.072 4.406 4.480 -0.002 0.000 0.263 126 M C 2.434 178.715 176.300 -0.031 0.000 1.062 126 M CA 1.302 56.593 55.300 -0.015 0.000 1.105 126 M CB -0.555 32.012 32.600 -0.055 0.000 1.385 126 M HN 0.376 nan 8.290 nan 0.000 0.417 127 A N -0.013 122.785 122.820 -0.036 0.000 1.898 127 A HA -0.118 4.201 4.320 -0.002 0.000 0.216 127 A C 2.214 179.777 177.584 -0.034 0.000 1.181 127 A CA 2.042 54.051 52.037 -0.047 0.000 0.620 127 A CB -1.038 17.928 19.000 -0.057 0.000 0.819 127 A HN 0.407 nan 8.150 nan 0.000 0.442 128 T N -0.192 114.355 114.554 -0.011 0.000 2.821 128 T HA -0.076 4.273 4.350 -0.002 0.000 0.267 128 T C 1.652 176.354 174.700 0.003 0.000 1.046 128 T CA 1.790 63.898 62.100 0.012 0.000 1.139 128 T CB -0.374 68.509 68.868 0.024 0.000 0.871 128 T HN 0.638 nan 8.240 nan 0.000 0.454 129 V N -1.155 118.758 119.914 -0.001 0.000 3.596 129 V HA 0.597 4.716 4.120 -0.002 0.000 0.289 129 V C 1.400 177.490 176.094 -0.007 0.000 1.336 129 V CA 0.190 62.491 62.300 0.000 0.000 1.137 129 V CB -0.844 30.985 31.823 0.009 0.000 0.966 129 V HN 0.496 nan 8.190 nan 0.000 0.428 130 G N 0.724 109.512 108.800 -0.021 0.000 2.160 130 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.251 130 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.251 130 G C 0.097 174.987 174.900 -0.016 0.000 1.008 130 G CA 0.524 45.605 45.100 -0.030 0.000 0.724 130 G HN 0.910 nan 8.290 nan 0.000 0.514 131 Q N 1.161 120.952 119.800 -0.015 0.000 2.389 131 Q HA 0.567 4.906 4.340 -0.002 0.000 0.244 131 Q C 0.660 176.615 176.000 -0.075 0.000 1.056 131 Q CA 0.209 56.001 55.803 -0.018 0.000 0.908 131 Q CB 0.552 29.296 28.738 0.010 0.000 1.273 131 Q HN 0.450 nan 8.270 nan 0.000 0.471 132 S N 3.146 118.813 115.700 -0.055 0.000 2.737 132 S HA 0.381 4.850 4.470 -0.002 0.000 0.315 132 S C -0.735 173.590 174.600 -0.458 0.000 1.236 132 S CA 0.572 58.726 58.200 -0.077 0.000 1.093 132 S CB -0.642 62.643 63.200 0.142 0.000 0.832 132 S HN 0.715 nan 8.310 nan 0.000 0.507 133 A N 4.527 127.044 122.820 -0.506 0.000 2.587 133 A HA 0.753 5.072 4.320 -0.002 0.000 0.293 133 A C -0.617 176.746 177.584 -0.369 0.000 1.087 133 A CA -0.773 50.876 52.037 -0.646 0.000 0.692 133 A CB 1.911 20.694 19.000 -0.362 0.000 1.291 133 A HN 0.633 nan 8.150 nan 0.000 0.407 134 T N 0.874 115.275 114.554 -0.254 0.000 2.881 134 T HA 0.602 4.950 4.350 -0.002 0.000 0.291 134 T C 0.200 174.718 174.700 -0.303 0.000 0.990 134 T CA 0.070 62.018 62.100 -0.254 0.000 0.976 134 T CB 1.580 70.268 68.868 -0.299 0.000 0.970 134 T HN 1.264 nan 8.240 nan 0.000 0.438 135 G N 1.749 110.364 108.800 -0.308 0.000 2.380 135 G HA2 0.495 4.454 3.960 -0.002 0.000 0.262 135 G HA3 0.495 4.454 3.960 -0.002 0.000 0.262 135 G C -1.311 173.350 174.900 -0.399 0.000 1.243 135 G CA -0.123 44.850 45.100 -0.211 0.000 0.865 135 G HN 0.631 nan 8.290 nan 0.000 0.513 136 Y N 1.391 121.763 120.300 0.121 0.000 2.363 136 Y HA 0.560 5.109 4.550 -0.002 0.000 0.325 136 Y C 0.786 176.887 175.900 0.334 0.000 0.984 136 Y CA -0.353 57.836 58.100 0.148 0.000 1.248 136 Y CB 2.062 40.687 38.460 0.275 0.000 1.116 136 Y HN 0.789 nan 8.280 nan 0.000 0.470 137 G N 2.176 111.190 108.800 0.356 0.000 3.211 137 G HA2 0.760 4.719 3.960 -0.002 0.000 0.262 137 G HA3 0.760 4.719 3.960 -0.002 0.000 0.262 137 G C -1.626 173.418 174.900 0.240 0.000 1.352 137 G CA -0.973 44.379 45.100 0.419 0.000 1.004 137 G HN 0.393 nan 8.290 nan 0.000 0.559 138 L N 0.167 121.418 121.223 0.047 0.000 2.346 138 L HA 0.395 4.734 4.340 -0.002 0.000 0.274 138 L C 0.076 176.766 176.870 -0.299 0.000 1.007 138 L CA -0.643 54.125 54.840 -0.120 0.000 0.818 138 L CB 2.247 44.078 42.059 -0.381 0.000 1.284 138 L HN 0.597 nan 8.230 nan 0.000 0.424 139 N N 2.309 120.966 118.700 -0.073 0.000 3.124 139 N HA 0.113 4.852 4.740 -0.002 0.000 0.284 139 N C -1.022 174.491 175.510 0.005 0.000 1.209 139 N CA -0.547 52.511 53.050 0.014 0.000 1.149 139 N CB 0.126 38.635 38.487 0.036 0.000 1.434 139 N HN 0.327 nan 8.380 nan 0.000 0.529 140 Y N 0.825 121.237 120.300 0.187 0.000 2.721 140 Y HA -0.126 4.423 4.550 -0.002 0.000 0.329 140 Y C 1.789 177.816 175.900 0.211 0.000 1.211 140 Y CA 0.162 58.352 58.100 0.151 0.000 1.512 140 Y CB 0.366 38.892 38.460 0.110 0.000 1.249 140 Y HN 0.457 nan 8.280 nan 0.000 0.549 141 Q N 1.835 121.718 119.800 0.138 0.000 2.172 141 Q HA -0.137 4.202 4.340 -0.002 0.000 0.200 141 Q C -0.051 175.821 176.000 -0.214 0.000 0.964 141 Q CA 1.394 57.055 55.803 -0.236 0.000 0.855 141 Q CB 0.121 28.481 28.738 -0.630 0.000 0.918 141 Q HN 0.855 nan 8.270 nan 0.000 0.444 142 Y N -0.970 119.492 120.300 0.270 0.000 2.738 142 Y HA 0.345 4.894 4.550 -0.002 0.000 0.249 142 Y C 0.852 176.860 175.900 0.179 0.000 1.153 142 Y CA -0.067 58.165 58.100 0.219 0.000 1.165 142 Y CB 0.712 39.244 38.460 0.119 0.000 1.235 142 Y HN 0.251 nan 8.280 nan 0.000 0.559 143 G N 0.950 109.917 108.800 0.278 0.000 2.582 143 G HA2 -0.396 3.563 3.960 -0.002 0.000 0.300 143 G HA3 -0.396 3.563 3.960 -0.002 0.000 0.300 143 G C 0.890 175.769 174.900 -0.034 0.000 1.300 143 G CA 0.770 45.902 45.100 0.053 0.000 0.959 143 G HN 0.335 nan 8.290 nan 0.000 0.548 144 L N -0.122 121.062 121.223 -0.066 0.000 2.013 144 L HA 0.579 4.918 4.340 -0.002 0.000 0.204 144 L C 0.970 177.983 176.870 0.240 0.000 1.081 144 L CA 2.868 57.721 54.840 0.021 0.000 0.751 144 L CB -0.240 41.784 42.059 -0.059 0.000 0.901 144 L HN 1.299 nan 8.230 nan 0.000 0.440 145 F N -2.935 117.024 119.950 0.014 0.000 2.765 145 F HA 0.356 4.881 4.527 -0.003 0.000 0.313 145 F C -0.643 175.162 175.800 0.008 0.000 1.136 145 F CA -1.540 56.469 58.000 0.015 0.000 0.952 145 F CB 0.441 39.443 39.000 0.003 0.000 1.268 145 F HN -0.115 nan 8.300 nan 0.000 0.441 146 R N 2.486 123.070 120.500 0.141 0.000 2.265 146 R HA 0.366 4.704 4.340 -0.002 0.000 0.314 146 R C -0.793 175.593 176.300 0.143 0.000 1.053 146 R CA -0.363 55.761 56.100 0.041 0.000 0.931 146 R CB 1.154 31.487 30.300 0.056 0.000 1.024 146 R HN 0.893 nan 8.270 nan 0.000 0.457 147 Q N 3.165 122.965 119.800 -0.000 0.000 2.257 147 Q HA 0.295 4.634 4.340 -0.002 0.000 0.255 147 Q C -1.223 174.672 176.000 -0.175 0.000 0.920 147 Q CA -0.508 55.313 55.803 0.029 0.000 0.927 147 Q CB 1.326 30.026 28.738 -0.063 0.000 1.229 147 Q HN 0.839 nan 8.270 nan 0.000 0.433 148 S N 2.452 118.039 115.700 -0.188 0.000 2.704 148 S HA 0.732 5.201 4.470 -0.002 0.000 0.296 148 S C -1.054 173.347 174.600 -0.333 0.000 1.138 148 S CA -0.743 57.269 58.200 -0.314 0.000 0.875 148 S CB 1.003 64.134 63.200 -0.115 0.000 1.151 148 S HN 0.411 nan 8.310 nan 0.000 0.500 149 F N 0.291 120.215 119.950 -0.043 0.000 2.507 149 F HA 0.701 5.226 4.527 -0.002 0.000 0.325 149 F C -0.445 175.342 175.800 -0.022 0.000 1.116 149 F CA -1.370 56.598 58.000 -0.053 0.000 0.930 149 F CB 1.995 40.945 39.000 -0.084 0.000 1.146 149 F HN 0.419 nan 8.300 nan 0.000 0.447 150 V N 3.135 123.157 119.914 0.180 0.000 2.531 150 V HA 0.291 4.410 4.120 -0.002 0.000 0.301 150 V C -0.624 175.522 176.094 0.088 0.000 1.034 150 V CA -1.154 61.206 62.300 0.099 0.000 0.865 150 V CB 1.675 33.529 31.823 0.051 0.000 0.995 150 V HN 0.808 nan 8.190 nan 0.000 0.424 151 D N 4.170 124.622 120.400 0.087 0.000 2.737 151 D HA -0.218 4.420 4.640 -0.002 0.000 0.233 151 D C 1.279 177.682 176.300 0.172 0.000 1.155 151 D CA 1.464 55.527 54.000 0.106 0.000 0.667 151 D CB -1.008 39.843 40.800 0.085 0.000 1.060 151 D HN 1.459 nan 8.370 nan 0.000 0.427 152 G N -0.615 108.256 108.800 0.119 0.000 2.162 152 G HA2 -0.365 3.594 3.960 -0.002 0.000 0.260 152 G HA3 -0.365 3.594 3.960 -0.002 0.000 0.260 152 G C 0.284 175.243 174.900 0.097 0.000 0.976 152 G CA 0.866 46.006 45.100 0.068 0.000 0.655 152 G HN 0.496 nan 8.290 nan 0.000 0.533 153 K N 0.060 120.518 120.400 0.096 0.000 2.156 153 K HA 0.452 4.770 4.320 -0.002 0.000 0.254 153 K C 0.401 177.096 176.600 0.158 0.000 0.950 153 K CA -0.704 55.603 56.287 0.034 0.000 0.849 153 K CB 1.416 33.838 32.500 -0.130 0.000 1.100 153 K HN 0.258 nan 8.250 nan 0.000 0.434 154 Q N 2.266 122.165 119.800 0.165 0.000 2.271 154 Q HA 0.094 4.433 4.340 -0.002 0.000 0.273 154 Q C -1.065 174.972 176.000 0.063 0.000 1.051 154 Q CA -0.137 55.790 55.803 0.208 0.000 0.901 154 Q CB 0.602 29.432 28.738 0.154 0.000 1.174 154 Q HN 0.246 nan 8.270 nan 0.000 0.385 155 V N 4.685 124.627 119.914 0.046 0.000 2.483 155 V HA 0.261 4.380 4.120 -0.002 0.000 0.295 155 V C -0.738 175.335 176.094 -0.036 0.000 1.035 155 V CA -0.663 61.626 62.300 -0.018 0.000 0.896 155 V CB 1.809 33.631 31.823 -0.003 0.000 0.986 155 V HN 0.839 nan 8.190 nan 0.000 0.447 156 E N 3.076 123.191 120.200 -0.142 0.000 2.156 156 E HA 0.754 5.103 4.350 -0.002 0.000 0.279 156 E C -0.262 176.325 176.600 -0.023 0.000 0.965 156 E CA -0.153 56.135 56.400 -0.187 0.000 0.789 156 E CB 1.842 31.115 29.700 -0.712 0.000 1.098 156 E HN 0.878 nan 8.360 nan 0.000 0.397 157 A N 3.613 126.495 122.820 0.103 0.000 2.532 157 A HA 0.771 5.090 4.320 -0.002 0.000 0.290 157 A C -2.660 174.963 177.584 0.065 0.000 1.143 157 A CA -2.002 50.057 52.037 0.036 0.000 0.728 157 A CB 0.986 19.994 19.000 0.014 0.000 1.317 157 A HN 0.420 nan 8.150 nan 0.000 0.414 158 P HA 0.172 nan 4.420 nan 0.000 0.268 158 P C -1.027 176.313 177.300 0.066 0.000 1.205 158 P CA 0.305 63.357 63.100 -0.081 0.000 0.771 158 P CB 0.456 31.862 31.700 -0.490 0.000 0.858 159 D N 2.017 122.534 120.400 0.195 0.000 2.564 159 D HA 0.049 4.687 4.640 -0.002 0.000 0.226 159 D C -0.623 175.897 176.300 0.365 0.000 1.149 159 D CA -0.214 53.910 54.000 0.207 0.000 0.994 159 D CB -0.586 40.293 40.800 0.131 0.000 1.029 159 D HN 0.139 nan 8.370 nan 0.000 0.517 160 D N 2.427 123.012 120.400 0.307 0.000 2.343 160 D HA -0.023 4.616 4.640 -0.002 0.000 0.255 160 D C 0.514 176.854 176.300 0.066 0.000 1.187 160 D CA -0.388 53.754 54.000 0.237 0.000 0.875 160 D CB 0.372 41.243 40.800 0.118 0.000 1.136 160 D HN 0.468 nan 8.370 nan 0.000 0.469 161 W N 4.532 125.767 121.300 -0.109 0.000 2.653 161 W HA 0.207 4.866 4.660 -0.002 0.000 0.391 161 W C -0.483 176.071 176.519 0.058 0.000 0.962 161 W CA -0.478 56.849 57.345 -0.032 0.000 1.900 161 W CB -1.222 28.251 29.460 0.022 0.000 1.176 161 W HN 0.472 nan 8.180 nan 0.000 0.582 162 H N 1.003 119.923 119.070 -0.250 0.000 2.819 162 H HA -0.205 4.349 4.556 -0.002 0.000 0.323 162 H C 1.795 176.831 175.328 -0.487 0.000 1.243 162 H CA 1.356 57.263 56.048 -0.234 0.000 1.163 162 H CB -1.690 28.082 29.762 0.017 0.000 1.493 162 H HN 0.396 nan 8.280 nan 0.000 0.434 163 R N 1.189 121.084 120.500 -1.008 0.000 2.083 163 R HA -0.154 4.185 4.340 -0.002 0.000 0.237 163 R C 2.129 178.143 176.300 -0.477 0.000 1.137 163 R CA 2.199 57.542 56.100 -1.262 0.000 0.951 163 R CB -0.119 29.438 30.300 -1.238 0.000 0.851 163 R HN 0.389 nan 8.270 nan 0.000 0.434 164 S N 0.032 115.479 115.700 -0.420 0.000 2.465 164 S HA -0.055 4.414 4.470 -0.002 0.000 0.241 164 S C 1.071 175.635 174.600 -0.059 0.000 1.000 164 S CA 1.064 59.068 58.200 -0.327 0.000 0.964 164 S CB -0.133 62.899 63.200 -0.280 0.000 0.763 164 S HN 0.413 nan 8.310 nan 0.000 0.512 165 N N 0.144 118.870 118.700 0.044 0.000 2.234 165 N HA 0.180 4.919 4.740 -0.002 0.000 0.227 165 N C -0.850 174.818 175.510 0.263 0.000 1.151 165 N CA -0.219 52.920 53.050 0.149 0.000 0.865 165 N CB 0.191 38.749 38.487 0.119 0.000 1.066 165 N HN 0.545 nan 8.380 nan 0.000 0.515 166 Y N 3.391 123.852 120.300 0.268 0.000 2.465 166 Y HA 0.162 4.711 4.550 -0.002 0.000 0.331 166 Y C -1.332 174.748 175.900 0.300 0.000 1.102 166 Y CA -1.348 56.974 58.100 0.369 0.000 1.358 166 Y CB 1.090 39.823 38.460 0.456 0.000 1.213 166 Y HN 0.048 nan 8.280 nan 0.000 0.525 167 P HA -0.086 nan 4.420 nan 0.000 0.229 167 P C 0.495 177.495 177.300 -0.500 0.000 1.160 167 P CA 1.233 64.050 63.100 -0.471 0.000 0.777 167 P CB 0.014 31.247 31.700 -0.778 0.000 0.814 168 W N -1.661 119.443 121.300 -0.327 0.000 2.905 168 W HA 0.159 4.818 4.660 -0.002 0.000 0.251 168 W C 0.643 177.216 176.519 0.091 0.000 1.305 168 W CA -0.480 56.808 57.345 -0.094 0.000 1.465 168 W CB -0.519 28.916 29.460 -0.042 0.000 1.122 168 W HN -0.241 nan 8.180 nan 0.000 0.659 169 F N 1.734 121.919 119.950 0.391 0.000 2.496 169 F HA 0.201 4.727 4.527 -0.002 0.000 0.344 169 F C 0.988 176.908 175.800 0.200 0.000 1.155 169 F CA -0.507 57.718 58.000 0.375 0.000 1.302 169 F CB 0.388 39.715 39.000 0.545 0.000 1.159 169 F HN -0.220 nan 8.300 nan 0.000 0.595 170 R N 1.824 122.587 120.500 0.438 0.000 2.673 170 R HA 0.499 4.837 4.340 -0.002 0.000 0.281 170 R C -2.218 174.007 176.300 -0.125 0.000 0.991 170 R CA -0.809 55.354 56.100 0.105 0.000 0.896 170 R CB 1.514 31.852 30.300 0.064 0.000 1.201 170 R HN 0.738 nan 8.270 nan 0.000 0.457 171 H N 2.215 120.988 119.070 -0.495 0.000 2.823 171 H HA 0.352 4.906 4.556 -0.002 0.000 0.332 171 H C -1.706 173.354 175.328 -0.448 0.000 0.980 171 H CA -0.765 54.807 56.048 -0.793 0.000 1.286 171 H CB 1.400 30.169 29.762 -1.656 0.000 1.541 171 H HN 0.682 nan 8.280 nan 0.000 0.521 172 N N 3.456 121.711 118.700 -0.741 0.000 2.501 172 N HA 0.071 4.810 4.740 -0.002 0.000 0.245 172 N C 0.765 175.876 175.510 -0.665 0.000 0.974 172 N CA -0.314 52.388 53.050 -0.580 0.000 0.941 172 N CB 0.888 39.203 38.487 -0.286 0.000 1.122 172 N HN 0.903 nan 8.380 nan 0.000 0.507 173 E N 2.697 122.487 120.200 -0.683 0.000 2.265 173 E HA -0.133 4.216 4.350 -0.002 0.000 0.196 173 E C 1.065 177.584 176.600 -0.135 0.000 0.996 173 E CA 1.026 57.213 56.400 -0.356 0.000 0.832 173 E CB -0.067 29.527 29.700 -0.176 0.000 0.756 173 E HN 0.519 nan 8.360 nan 0.000 0.491 174 A N 1.300 124.037 122.820 -0.139 0.000 2.168 174 A HA 0.042 4.361 4.320 -0.002 0.000 0.215 174 A C 1.921 179.492 177.584 -0.023 0.000 1.152 174 A CA 0.475 52.471 52.037 -0.067 0.000 0.716 174 A CB -0.378 18.580 19.000 -0.070 0.000 0.794 174 A HN 0.303 nan 8.150 nan 0.000 0.465 175 L N 0.039 121.253 121.223 -0.016 0.000 2.653 175 L HA 0.122 4.461 4.340 -0.002 0.000 0.231 175 L C -0.453 176.532 176.870 0.191 0.000 1.153 175 L CA -0.565 54.329 54.840 0.091 0.000 0.933 175 L CB -0.385 41.743 42.059 0.116 0.000 1.175 175 L HN 0.105 nan 8.230 nan 0.000 0.473 176 D N 1.036 121.517 120.400 0.135 0.000 2.378 176 D HA 0.193 4.832 4.640 -0.002 0.000 0.238 176 D C -0.055 176.286 176.300 0.069 0.000 1.180 176 D CA 0.420 54.516 54.000 0.160 0.000 0.895 176 D CB 2.087 42.956 40.800 0.115 0.000 1.192 176 D HN -0.144 nan 8.370 nan 0.000 0.438 177 V N 0.710 120.628 119.914 0.007 0.000 2.760 177 V HA 0.313 4.432 4.120 -0.002 0.000 0.309 177 V C -1.409 174.630 176.094 -0.092 0.000 1.077 177 V CA -0.793 61.447 62.300 -0.099 0.000 0.910 177 V CB 2.059 33.734 31.823 -0.246 0.000 1.008 177 V HN 0.323 nan 8.190 nan 0.000 0.424 178 Q N 4.014 123.762 119.800 -0.086 0.000 2.256 178 Q HA 0.605 4.944 4.340 -0.002 0.000 0.254 178 Q C -1.005 174.956 176.000 -0.066 0.000 0.916 178 Q CA -0.417 55.340 55.803 -0.076 0.000 0.932 178 Q CB 2.149 30.835 28.738 -0.087 0.000 1.207 178 Q HN 0.683 nan 8.270 nan 0.000 0.426 179 V N 1.541 121.445 119.914 -0.016 0.000 2.483 179 V HA 0.501 4.620 4.120 -0.002 0.000 0.297 179 V C 0.372 176.543 176.094 0.128 0.000 1.027 179 V CA -0.810 61.530 62.300 0.065 0.000 0.855 179 V CB 1.832 33.719 31.823 0.106 0.000 0.995 179 V HN 0.877 nan 8.190 nan 0.000 0.424 180 G N 3.443 112.329 108.800 0.143 0.000 2.507 180 G HA2 0.701 4.660 3.960 -0.002 0.000 0.271 180 G HA3 0.701 4.660 3.960 -0.002 0.000 0.271 180 G C -1.068 174.044 174.900 0.353 0.000 1.189 180 G CA -0.269 44.852 45.100 0.035 0.000 0.859 180 G HN 0.631 nan 8.290 nan 0.000 0.542 181 I N -0.339 120.399 120.570 0.280 0.000 2.743 181 I HA 0.550 4.719 4.170 -0.002 0.000 0.292 181 I C 0.481 176.794 176.117 0.327 0.000 1.343 181 I CA 0.918 62.437 61.300 0.364 0.000 1.038 181 I CB 1.749 39.953 38.000 0.340 0.000 1.311 181 I HN 1.358 nan 8.210 nan 0.000 0.426 182 G N 4.017 113.014 108.800 0.328 0.000 2.525 182 G HA2 0.330 4.288 3.960 -0.002 0.000 0.248 182 G HA3 0.330 4.288 3.960 -0.002 0.000 0.248 182 G C 0.617 175.732 174.900 0.357 0.000 1.238 182 G CA -0.037 45.217 45.100 0.256 0.000 0.926 182 G HN 2.241 nan 8.290 nan 0.000 0.574 183 G N -0.526 108.415 108.800 0.235 0.000 2.562 183 G HA2 0.330 4.289 3.960 -0.002 0.000 0.250 183 G HA3 0.330 4.289 3.960 -0.002 0.000 0.250 183 G C 0.053 175.103 174.900 0.249 0.000 1.269 183 G CA 1.740 46.977 45.100 0.228 0.000 0.919 183 G HN 2.471 nan 8.290 nan 0.000 0.574 184 K N -2.099 118.470 120.400 0.281 0.000 2.522 184 K HA 0.717 5.035 4.320 -0.002 0.000 0.275 184 K C -1.166 175.628 176.600 0.323 0.000 1.006 184 K CA -0.938 55.489 56.287 0.234 0.000 0.890 184 K CB 1.991 34.574 32.500 0.138 0.000 1.475 184 K HN 0.912 nan 8.250 nan 0.000 0.441 185 V N 1.784 121.821 119.914 0.206 0.000 2.370 185 V HA 0.228 4.347 4.120 -0.002 0.000 0.279 185 V C 0.259 176.425 176.094 0.119 0.000 1.029 185 V CA -0.680 61.728 62.300 0.180 0.000 0.870 185 V CB 0.873 32.749 31.823 0.088 0.000 0.984 185 V HN 0.940 nan 8.190 nan 0.000 0.451 186 T N 1.940 116.561 114.554 0.111 0.000 2.930 186 T HA 0.178 4.527 4.350 -0.002 0.000 0.306 186 T C 1.202 175.938 174.700 0.058 0.000 1.045 186 T CA -0.581 61.563 62.100 0.074 0.000 1.134 186 T CB 0.886 69.792 68.868 0.062 0.000 0.961 186 T HN 0.511 nan 8.240 nan 0.000 0.545 187 K N 1.625 122.052 120.400 0.045 0.000 2.127 187 K HA -0.192 4.126 4.320 -0.002 0.000 0.212 187 K C 1.709 178.330 176.600 0.035 0.000 1.050 187 K CA 2.161 58.469 56.287 0.036 0.000 0.929 187 K CB -0.634 31.883 32.500 0.028 0.000 0.715 187 K HN 0.961 nan 8.250 nan 0.000 0.457 188 D N -1.174 119.248 120.400 0.036 0.000 2.371 188 D HA -0.038 4.601 4.640 -0.002 0.000 0.234 188 D C 1.053 177.380 176.300 0.045 0.000 1.049 188 D CA 1.121 55.143 54.000 0.036 0.000 0.907 188 D CB -0.001 40.818 40.800 0.032 0.000 0.891 188 D HN 0.354 nan 8.370 nan 0.000 0.531 189 G N 0.008 108.842 108.800 0.056 0.000 2.231 189 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.206 189 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.206 189 G C 0.233 175.189 174.900 0.094 0.000 0.996 189 G CA -0.325 44.815 45.100 0.067 0.000 0.645 189 G HN 0.423 nan 8.290 nan 0.000 0.498 190 R N -0.402 120.157 120.500 0.098 0.000 2.389 190 R HA 0.377 4.716 4.340 -0.002 0.000 0.295 190 R C -0.268 176.157 176.300 0.208 0.000 1.075 190 R CA -0.547 55.627 56.100 0.122 0.000 1.005 190 R CB 0.697 31.043 30.300 0.077 0.000 0.987 190 R HN 0.219 nan 8.270 nan 0.000 0.452 191 W N 4.065 125.378 121.300 0.021 0.000 2.332 191 W HA 0.156 4.815 4.660 -0.001 0.000 0.306 191 W C -0.801 175.737 176.519 0.033 0.000 1.149 191 W CA -1.118 56.244 57.345 0.029 0.000 1.271 191 W CB 0.570 30.050 29.460 0.033 0.000 1.243 191 W HN 0.522 nan 8.180 nan 0.000 0.459 192 E N 8.115 128.349 120.200 0.057 0.000 2.063 192 E HA 0.234 4.583 4.350 -0.002 0.000 0.265 192 E C -2.128 174.346 176.600 -0.211 0.000 0.919 192 E CA -1.813 54.507 56.400 -0.135 0.000 0.756 192 E CB 1.060 30.760 29.700 -0.001 0.000 1.120 192 E HN 0.124 nan 8.360 nan 0.000 0.414 193 P HA -0.047 nan 4.420 nan 0.000 0.272 193 P C 0.224 177.486 177.300 -0.064 0.000 1.230 193 P CA 0.007 62.906 63.100 -0.335 0.000 0.788 193 P CB 0.661 32.046 31.700 -0.525 0.000 0.949 194 E N 0.494 120.740 120.200 0.077 0.000 2.465 194 E HA 0.125 4.474 4.350 -0.002 0.000 0.209 194 E C -0.483 176.254 176.600 0.229 0.000 0.951 194 E CA 0.016 56.490 56.400 0.124 0.000 0.997 194 E CB 0.199 29.983 29.700 0.139 0.000 1.025 194 E HN 0.299 nan 8.360 nan 0.000 0.500 195 F N 1.497 121.474 119.950 0.045 0.000 2.556 195 F HA 0.465 4.990 4.527 -0.002 0.000 0.314 195 F C -1.278 174.563 175.800 0.067 0.000 1.106 195 F CA -0.512 57.539 58.000 0.085 0.000 0.911 195 F CB 2.511 41.571 39.000 0.100 0.000 1.190 195 F HN -0.269 nan 8.300 nan 0.000 0.448 196 T N 6.865 121.177 114.554 -0.404 0.000 2.812 196 T HA 0.605 4.954 4.350 -0.002 0.000 0.282 196 T C -0.506 173.871 174.700 -0.538 0.000 0.990 196 T CA -0.368 61.534 62.100 -0.331 0.000 0.960 196 T CB 1.163 69.876 68.868 -0.258 0.000 0.948 196 T HN 0.379 nan 8.240 nan 0.000 0.438 197 I N 2.353 122.775 120.570 -0.247 0.000 2.412 197 I HA 0.323 4.492 4.170 -0.002 0.000 0.296 197 I C 0.436 176.518 176.117 -0.059 0.000 0.987 197 I CA -0.608 60.604 61.300 -0.148 0.000 1.180 197 I CB 1.767 39.803 38.000 0.061 0.000 1.340 197 I HN 0.494 nan 8.210 nan 0.000 0.455 198 T N 4.563 119.075 114.554 -0.070 0.000 2.743 198 T HA 0.425 4.774 4.350 -0.002 0.000 0.293 198 T C 0.271 175.087 174.700 0.193 0.000 0.945 198 T CA -0.564 61.548 62.100 0.019 0.000 1.030 198 T CB 0.955 69.797 68.868 -0.043 0.000 0.912 198 T HN 0.784 nan 8.240 nan 0.000 0.483 199 G N 2.756 111.710 108.800 0.258 0.000 2.343 199 G HA2 0.528 4.487 3.960 -0.002 0.000 0.319 199 G HA3 0.528 4.487 3.960 -0.002 0.000 0.319 199 G C -0.735 174.420 174.900 0.425 0.000 1.126 199 G CA -0.601 44.767 45.100 0.447 0.000 0.889 199 G HN 0.611 nan 8.290 nan 0.000 0.457 200 Q N 0.117 120.248 119.800 0.552 0.000 2.309 200 Q HA 0.585 4.924 4.340 -0.002 0.000 0.264 200 Q C -0.359 175.982 176.000 0.568 0.000 1.008 200 Q CA -0.785 55.318 55.803 0.500 0.000 0.853 200 Q CB 2.604 31.551 28.738 0.347 0.000 1.314 200 Q HN 0.651 nan 8.270 nan 0.000 0.448 201 A N 2.267 125.282 122.820 0.324 0.000 2.252 201 A HA 0.443 4.762 4.320 -0.002 0.000 0.309 201 A C -1.578 175.905 177.584 -0.168 0.000 1.285 201 A CA -0.348 51.619 52.037 -0.117 0.000 0.900 201 A CB 0.126 18.942 19.000 -0.306 0.000 1.157 201 A HN 0.681 nan 8.150 nan 0.000 0.536 202 W N 2.337 123.561 121.300 -0.126 0.000 2.336 202 W HA 0.410 5.068 4.660 -0.002 0.000 0.315 202 W C -0.982 175.634 176.519 0.163 0.000 1.016 202 W CA -0.256 57.033 57.345 -0.092 0.000 1.318 202 W CB 1.578 30.745 29.460 -0.488 0.000 1.247 202 W HN 0.571 nan 8.180 nan 0.000 0.414 203 D N 3.741 124.320 120.400 0.298 0.000 2.198 203 D HA 0.447 5.085 4.640 -0.002 0.000 0.245 203 D C -0.404 176.109 176.300 0.355 0.000 1.079 203 D CA -0.329 53.808 54.000 0.227 0.000 0.854 203 D CB 1.793 42.619 40.800 0.042 0.000 1.148 203 D HN 0.164 nan 8.370 nan 0.000 0.456 204 L N 3.301 124.617 121.223 0.155 0.000 2.329 204 L HA 0.419 4.758 4.340 -0.002 0.000 0.279 204 L C -2.286 174.582 176.870 -0.003 0.000 1.014 204 L CA -1.884 52.986 54.840 0.051 0.000 0.814 204 L CB 2.385 44.395 42.059 -0.082 0.000 1.257 204 L HN 0.099 nan 8.230 nan 0.000 0.424 205 P HA 0.176 nan 4.420 nan 0.000 0.290 205 P C -0.893 176.334 177.300 -0.123 0.000 1.276 205 P CA -0.375 62.701 63.100 -0.039 0.000 0.808 205 P CB 1.851 33.563 31.700 0.021 0.000 0.966 206 V N 4.629 124.471 119.914 -0.121 0.000 2.364 206 V HA 0.138 4.256 4.120 -0.002 0.000 0.272 206 V C 0.564 176.581 176.094 -0.128 0.000 1.036 206 V CA -0.597 61.622 62.300 -0.136 0.000 0.880 206 V CB 1.477 33.230 31.823 -0.116 0.000 0.991 206 V HN 0.283 nan 8.190 nan 0.000 0.460 207 V N 5.130 124.949 119.914 -0.158 0.000 2.364 207 V HA 0.496 4.615 4.120 -0.002 0.000 0.272 207 V C 1.071 177.093 176.094 -0.119 0.000 1.036 207 V CA -0.217 61.987 62.300 -0.160 0.000 0.880 207 V CB 1.229 32.916 31.823 -0.228 0.000 0.991 207 V HN 0.953 nan 8.190 nan 0.000 0.460 208 G N 3.049 111.789 108.800 -0.100 0.000 2.594 208 G HA2 0.171 4.130 3.960 -0.002 0.000 0.243 208 G HA3 0.171 4.130 3.960 -0.002 0.000 0.243 208 G C -0.687 174.183 174.900 -0.050 0.000 1.229 208 G CA -0.224 44.841 45.100 -0.058 0.000 0.843 208 G HN 0.699 nan 8.290 nan 0.000 0.578 209 Y N 2.302 122.528 120.300 -0.122 0.000 2.585 209 Y HA 0.269 4.818 4.550 -0.002 0.000 0.354 209 Y C 1.156 176.982 175.900 -0.122 0.000 1.024 209 Y CA -0.479 57.542 58.100 -0.131 0.000 1.321 209 Y CB 0.118 38.499 38.460 -0.132 0.000 1.151 209 Y HN 0.641 nan 8.280 nan 0.000 0.525 210 R N 2.615 122.795 120.500 -0.533 0.000 3.878 210 R HA -0.251 4.087 4.340 -0.002 0.000 0.330 210 R C -0.054 176.112 176.300 -0.223 0.000 1.186 210 R CA 1.102 56.929 56.100 -0.455 0.000 0.885 210 R CB -2.573 27.328 30.300 -0.665 0.000 1.377 210 R HN 0.857 nan 8.270 nan 0.000 0.523 211 N N -1.575 117.023 118.700 -0.170 0.000 2.145 211 N HA 0.130 4.869 4.740 -0.002 0.000 0.219 211 N C 1.062 176.496 175.510 -0.126 0.000 1.266 211 N CA 0.856 53.836 53.050 -0.117 0.000 0.902 211 N CB 0.475 38.912 38.487 -0.082 0.000 1.078 211 N HN 0.320 nan 8.380 nan 0.000 0.513 212 G N 0.019 108.733 108.800 -0.144 0.000 2.159 212 G HA2 -0.255 3.703 3.960 -0.002 0.000 0.256 212 G HA3 -0.255 3.703 3.960 -0.002 0.000 0.256 212 G C -0.292 174.511 174.900 -0.162 0.000 0.977 212 G CA 0.430 45.446 45.100 -0.140 0.000 0.652 212 G HN 0.313 nan 8.290 nan 0.000 0.531 213 V N 0.662 120.481 119.914 -0.160 0.000 2.732 213 V HA 0.700 4.819 4.120 -0.002 0.000 0.297 213 V C 0.653 176.674 176.094 -0.123 0.000 1.060 213 V CA 0.517 62.717 62.300 -0.167 0.000 1.038 213 V CB 1.559 33.298 31.823 -0.139 0.000 1.003 213 V HN 1.513 nan 8.190 nan 0.000 0.481 214 A N 5.321 128.088 122.820 -0.089 0.000 2.456 214 A HA 0.758 5.077 4.320 -0.002 0.000 0.288 214 A C -0.842 176.735 177.584 -0.012 0.000 1.042 214 A CA -0.692 51.313 52.037 -0.054 0.000 0.738 214 A CB 1.497 20.478 19.000 -0.032 0.000 1.266 214 A HN 0.836 nan 8.150 nan 0.000 0.407 215 Q N 1.690 121.472 119.800 -0.030 0.000 2.462 215 Q HA 0.778 5.117 4.340 -0.002 0.000 0.285 215 Q C -3.090 172.874 176.000 -0.059 0.000 1.035 215 Q CA -2.203 53.592 55.803 -0.013 0.000 0.799 215 Q CB 2.601 31.338 28.738 -0.002 0.000 1.452 215 Q HN 0.386 nan 8.270 nan 0.000 0.404 216 P HA 0.240 nan 4.420 nan 0.000 0.284 216 P C -1.237 175.930 177.300 -0.222 0.000 1.258 216 P CA -0.716 62.308 63.100 -0.127 0.000 0.824 216 P CB 0.741 32.365 31.700 -0.127 0.000 1.038 217 L N 2.561 123.642 121.223 -0.237 0.000 2.283 217 L HA 0.451 4.790 4.340 -0.002 0.000 0.281 217 L C 0.061 176.752 176.870 -0.299 0.000 1.033 217 L CA -0.648 53.971 54.840 -0.367 0.000 0.848 217 L CB 0.006 41.829 42.059 -0.392 0.000 1.226 217 L HN 0.250 nan 8.230 nan 0.000 0.429 218 R N 4.970 125.227 120.500 -0.406 0.000 2.210 218 R HA 0.492 4.830 4.340 -0.002 0.000 0.338 218 R C -1.266 174.780 176.300 -0.424 0.000 1.062 218 R CA -0.256 55.592 56.100 -0.420 0.000 0.902 218 R CB 0.245 30.195 30.300 -0.584 0.000 1.050 218 R HN 0.749 nan 8.270 nan 0.000 0.461 219 L N 5.896 126.993 121.223 -0.209 0.000 2.265 219 L HA 0.372 4.711 4.340 -0.002 0.000 0.289 219 L C -0.575 176.289 176.870 -0.010 0.000 1.033 219 L CA -0.650 54.153 54.840 -0.061 0.000 0.814 219 L CB 0.869 43.028 42.059 0.167 0.000 1.203 219 L HN 0.558 nan 8.230 nan 0.000 0.423 220 W N 3.167 124.577 121.300 0.184 0.000 2.238 220 W HA 0.385 5.043 4.660 -0.003 0.000 0.321 220 W C 0.341 177.044 176.519 0.307 0.000 1.293 220 W CA -0.195 57.278 57.345 0.214 0.000 1.204 220 W CB 0.521 29.975 29.460 -0.009 0.000 1.167 220 W HN 0.422 nan 8.180 nan 0.000 0.553 221 Q N 2.244 122.415 119.800 0.619 0.000 2.330 221 Q HA 0.640 4.979 4.340 -0.002 0.000 0.269 221 Q C -0.811 175.413 176.000 0.373 0.000 1.022 221 Q CA -0.697 55.300 55.803 0.323 0.000 0.796 221 Q CB 1.678 30.423 28.738 0.011 0.000 1.271 221 Q HN 0.612 nan 8.270 nan 0.000 0.450 222 A N 2.493 125.349 122.820 0.061 0.000 2.310 222 A HA 0.763 5.081 4.320 -0.002 0.000 0.299 222 A C -0.228 177.337 177.584 -0.031 0.000 1.147 222 A CA 0.023 51.972 52.037 -0.147 0.000 0.818 222 A CB 0.918 19.534 19.000 -0.640 0.000 1.096 222 A HN 0.805 nan 8.150 nan 0.000 0.495 223 T N -0.980 113.589 114.554 0.025 0.000 2.754 223 T HA 0.615 4.963 4.350 -0.002 0.000 0.296 223 T C -1.010 173.717 174.700 0.045 0.000 1.205 223 T CA -0.637 61.492 62.100 0.048 0.000 1.009 223 T CB 1.502 70.402 68.868 0.053 0.000 1.368 223 T HN 0.791 nan 8.240 nan 0.000 0.509 224 H N -0.830 118.237 119.070 -0.005 0.000 2.717 224 H HA 0.662 5.217 4.556 -0.002 0.000 0.366 224 H C 0.849 176.135 175.328 -0.071 0.000 1.132 224 H CA -0.058 55.963 56.048 -0.046 0.000 1.180 224 H CB 2.289 32.053 29.762 0.003 0.000 1.678 224 H HN 0.882 nan 8.280 nan 0.000 0.537 225 A N 3.456 126.059 122.820 -0.361 0.000 1.969 225 A HA -0.086 4.233 4.320 -0.002 0.000 0.218 225 A C 0.395 177.749 177.584 -0.384 0.000 1.169 225 A CA 1.015 52.870 52.037 -0.304 0.000 0.635 225 A CB -0.008 18.771 19.000 -0.369 0.000 0.810 225 A HN 0.665 nan 8.150 nan 0.000 0.445 226 H N -1.206 118.166 119.070 0.503 0.000 2.348 226 H HA 0.231 4.785 4.556 -0.002 0.000 0.232 226 H C -2.258 173.176 175.328 0.177 0.000 1.419 226 H CA -1.523 54.703 56.048 0.296 0.000 1.416 226 H CB 0.620 30.503 29.762 0.201 0.000 1.510 226 H HN 0.317 nan 8.280 nan 0.000 0.507 227 P HA -0.028 nan 4.420 nan 0.000 0.241 227 P C -0.027 177.413 177.300 0.234 0.000 1.191 227 P CA 0.606 63.814 63.100 0.180 0.000 0.771 227 P CB 0.220 32.033 31.700 0.189 0.000 0.929 228 F N 0.416 120.413 119.950 0.078 0.000 2.561 228 F HA 0.470 4.995 4.527 -0.002 0.000 0.313 228 F C -1.272 174.573 175.800 0.074 0.000 1.126 228 F CA -1.197 56.844 58.000 0.068 0.000 0.918 228 F CB 1.779 40.803 39.000 0.040 0.000 1.199 228 F HN -0.387 nan 8.300 nan 0.000 0.444 229 D N 6.575 126.616 120.400 -0.599 0.000 2.454 229 D HA 0.105 4.744 4.640 -0.002 0.000 0.225 229 D C 0.752 176.624 176.300 -0.713 0.000 1.081 229 D CA -0.239 53.483 54.000 -0.463 0.000 0.864 229 D CB 1.510 42.164 40.800 -0.244 0.000 1.040 229 D HN 0.765 nan 8.370 nan 0.000 0.517 230 L N 4.075 125.038 121.223 -0.433 0.000 2.127 230 L HA -0.129 4.210 4.340 -0.002 0.000 0.211 230 L C 1.870 178.725 176.870 -0.024 0.000 1.089 230 L CA 1.899 56.645 54.840 -0.156 0.000 0.757 230 L CB -0.470 41.657 42.059 0.114 0.000 0.899 230 L HN 0.359 nan 8.230 nan 0.000 0.434 231 T N -0.461 114.061 114.554 -0.054 0.000 2.701 231 T HA -0.163 4.185 4.350 -0.002 0.000 0.263 231 T C 1.849 176.534 174.700 -0.026 0.000 1.040 231 T CA 1.663 63.752 62.100 -0.017 0.000 1.147 231 T CB -0.113 68.738 68.868 -0.028 0.000 0.865 231 T HN 0.365 nan 8.240 nan 0.000 0.426 232 K N 0.357 120.714 120.400 -0.072 0.000 2.032 232 K HA -0.089 4.230 4.320 -0.002 0.000 0.209 232 K C 2.042 178.612 176.600 -0.050 0.000 1.048 232 K CA 1.350 57.589 56.287 -0.079 0.000 0.927 232 K CB -0.446 31.996 32.500 -0.098 0.000 0.712 232 K HN 0.257 nan 8.250 nan 0.000 0.441 233 F N 2.725 122.585 119.950 -0.149 0.000 2.095 233 F HA -0.199 4.327 4.527 -0.002 0.000 0.298 233 F C 1.807 177.672 175.800 0.108 0.000 1.104 233 F CA 1.470 59.499 58.000 0.048 0.000 1.232 233 F CB -0.141 38.938 39.000 0.133 0.000 0.987 233 F HN 0.026 nan 8.300 nan 0.000 0.475 234 N N 0.314 119.209 118.700 0.325 0.000 2.550 234 N HA -0.110 4.629 4.740 -0.002 0.000 0.186 234 N C 0.717 176.245 175.510 0.031 0.000 1.110 234 N CA 0.913 54.099 53.050 0.226 0.000 0.912 234 N CB -0.411 38.200 38.487 0.207 0.000 0.968 234 N HN 0.382 nan 8.380 nan 0.000 0.448 235 D N -0.886 119.478 120.400 -0.061 0.000 2.339 235 D HA 0.156 4.795 4.640 -0.002 0.000 0.217 235 D C 1.277 177.411 176.300 -0.277 0.000 1.050 235 D CA 0.327 54.251 54.000 -0.127 0.000 0.856 235 D CB 0.278 41.014 40.800 -0.108 0.000 0.922 235 D HN 0.295 nan 8.370 nan 0.000 0.518 236 G N 1.099 109.596 108.800 -0.504 0.000 2.176 236 G HA2 -0.222 3.737 3.960 -0.002 0.000 0.232 236 G HA3 -0.222 3.737 3.960 -0.002 0.000 0.232 236 G C 0.001 174.153 174.900 -1.246 0.000 0.986 236 G CA -0.325 44.175 45.100 -1.001 0.000 0.643 236 G HN 0.193 nan 8.290 nan 0.000 0.522 237 D N 0.556 120.523 120.400 -0.722 0.000 2.522 237 D HA 0.526 5.164 4.640 -0.002 0.000 0.218 237 D C 1.278 177.375 176.300 -0.338 0.000 1.149 237 D CA -0.647 53.069 54.000 -0.473 0.000 0.981 237 D CB -0.288 40.372 40.800 -0.233 0.000 1.041 237 D HN 0.118 nan 8.370 nan 0.000 0.518 238 F N 0.791 120.658 119.950 -0.139 0.000 2.259 238 F HA -0.068 4.458 4.527 -0.002 0.000 0.298 238 F C 1.998 177.853 175.800 0.091 0.000 1.088 238 F CA 0.152 58.113 58.000 -0.065 0.000 1.358 238 F CB -0.464 38.464 39.000 -0.120 0.000 1.040 238 F HN 0.291 nan 8.300 nan 0.000 0.505 239 L N 0.452 121.793 121.223 0.196 0.000 2.044 239 L HA -0.018 4.321 4.340 -0.002 0.000 0.205 239 L C 2.342 179.276 176.870 0.107 0.000 1.075 239 L CA 1.678 56.608 54.840 0.150 0.000 0.747 239 L CB -0.586 41.529 42.059 0.095 0.000 0.903 239 L HN -0.059 nan 8.230 nan 0.000 0.435 240 R N -0.531 119.996 120.500 0.046 0.000 2.237 240 R HA -0.007 4.332 4.340 -0.002 0.000 0.219 240 R C 2.095 178.404 176.300 0.015 0.000 1.080 240 R CA 0.748 56.858 56.100 0.018 0.000 0.995 240 R CB -0.386 29.901 30.300 -0.020 0.000 0.875 240 R HN 0.524 nan 8.270 nan 0.000 0.462 241 A N 1.040 123.884 122.820 0.041 0.000 2.070 241 A HA -0.132 4.186 4.320 -0.002 0.000 0.220 241 A C 1.434 179.027 177.584 0.014 0.000 1.159 241 A CA 1.207 53.223 52.037 -0.035 0.000 0.656 241 A CB 0.021 19.058 19.000 0.062 0.000 0.800 241 A HN 0.146 nan 8.150 nan 0.000 0.453 242 E N -0.902 119.387 120.200 0.147 0.000 2.463 242 E HA -0.007 4.341 4.350 -0.002 0.000 0.193 242 E C 1.633 178.302 176.600 0.115 0.000 1.041 242 E CA 0.248 56.764 56.400 0.192 0.000 0.879 242 E CB 0.223 30.056 29.700 0.222 0.000 0.997 242 E HN 0.750 nan 8.360 nan 0.000 0.478 243 Q N 1.525 121.363 119.800 0.064 0.000 2.096 243 Q HA -0.233 4.106 4.340 -0.002 0.000 0.204 243 Q C 2.093 178.115 176.000 0.036 0.000 0.982 243 Q CA 1.933 57.758 55.803 0.037 0.000 0.850 243 Q CB -0.051 28.692 28.738 0.007 0.000 0.901 243 Q HN 0.251 nan 8.270 nan 0.000 0.422 244 Q N -1.291 118.526 119.800 0.029 0.000 2.124 244 Q HA -0.113 4.226 4.340 -0.002 0.000 0.202 244 Q C 1.834 177.892 176.000 0.096 0.000 0.977 244 Q CA 1.665 57.484 55.803 0.027 0.000 0.850 244 Q CB -0.545 28.110 28.738 -0.140 0.000 0.901 244 Q HN 0.549 nan 8.270 nan 0.000 0.429 245 G N 0.612 109.472 108.800 0.101 0.000 2.404 245 G HA2 -0.197 3.761 3.960 -0.002 0.000 0.215 245 G HA3 -0.197 3.761 3.960 -0.002 0.000 0.215 245 G C 1.377 176.365 174.900 0.147 0.000 1.174 245 G CA 0.728 45.920 45.100 0.154 0.000 0.780 245 G HN 0.357 nan 8.290 nan 0.000 0.537 246 I N 1.069 121.707 120.570 0.113 0.000 2.286 246 I HA -0.160 4.009 4.170 -0.002 0.000 0.248 246 I C 2.352 178.514 176.117 0.075 0.000 1.115 246 I CA 0.745 62.098 61.300 0.088 0.000 1.392 246 I CB -0.281 37.763 38.000 0.075 0.000 1.065 246 I HN 0.076 nan 8.210 nan 0.000 0.418 247 N N 1.188 119.927 118.700 0.066 0.000 2.223 247 N HA -0.124 4.614 4.740 -0.002 0.000 0.185 247 N C 1.805 177.383 175.510 0.113 0.000 1.016 247 N CA 1.565 54.606 53.050 -0.014 0.000 0.863 247 N CB -0.184 38.145 38.487 -0.263 0.000 0.983 247 N HN 0.379 nan 8.380 nan 0.000 0.429 248 A N 0.785 123.782 122.820 0.295 0.000 1.903 248 A HA 0.014 4.333 4.320 -0.002 0.000 0.213 248 A C 1.915 179.539 177.584 0.067 0.000 1.185 248 A CA 0.783 52.984 52.037 0.274 0.000 0.628 248 A CB -0.274 18.907 19.000 0.302 0.000 0.830 248 A HN 0.244 nan 8.150 nan 0.000 0.446 249 E N 0.227 120.469 120.200 0.070 0.000 2.418 249 E HA -0.150 4.199 4.350 -0.002 0.000 0.197 249 E C 1.646 178.252 176.600 0.010 0.000 1.026 249 E CA 1.125 57.535 56.400 0.017 0.000 0.862 249 E CB -0.070 29.648 29.700 0.031 0.000 0.799 249 E HN 0.828 nan 8.360 nan 0.000 0.518 250 K N 0.438 120.854 120.400 0.027 0.000 2.366 250 K HA -0.003 4.316 4.320 -0.002 0.000 0.198 250 K C 1.742 178.368 176.600 0.043 0.000 1.044 250 K CA 0.511 56.826 56.287 0.047 0.000 0.973 250 K CB 0.058 32.584 32.500 0.044 0.000 0.767 250 K HN 0.085 nan 8.250 nan 0.000 0.475 251 L N 1.870 123.083 121.223 -0.017 0.000 2.201 251 L HA -0.046 4.292 4.340 -0.002 0.000 0.212 251 L C 1.198 178.097 176.870 0.048 0.000 1.105 251 L CA 1.377 56.202 54.840 -0.026 0.000 0.775 251 L CB -0.397 41.521 42.059 -0.236 0.000 0.913 251 L HN 0.455 nan 8.230 nan 0.000 0.440 252 T N -5.386 109.184 114.554 0.027 0.000 3.331 252 T HA 0.189 4.538 4.350 -0.002 0.000 0.282 252 T C 1.193 175.990 174.700 0.161 0.000 1.010 252 T CA -0.577 61.591 62.100 0.112 0.000 0.928 252 T CB 0.412 69.293 68.868 0.021 0.000 1.154 252 T HN -0.012 nan 8.240 nan 0.000 0.516 253 K N 0.855 121.362 120.400 0.178 0.000 2.067 253 K HA 0.271 4.590 4.320 -0.002 0.000 0.203 253 K C 0.558 177.322 176.600 0.274 0.000 1.048 253 K CA 0.595 57.007 56.287 0.207 0.000 0.954 253 K CB 0.249 32.884 32.500 0.225 0.000 0.737 253 K HN 0.305 nan 8.250 nan 0.000 0.444 254 V N 1.903 121.945 119.914 0.212 0.000 2.841 254 V HA 0.252 4.371 4.120 -0.002 0.000 0.310 254 V C -0.731 175.233 176.094 -0.217 0.000 1.090 254 V CA -0.991 61.349 62.300 0.066 0.000 0.930 254 V CB 2.883 34.765 31.823 0.098 0.000 1.014 254 V HN 0.115 nan 8.190 nan 0.000 0.425 255 L N 4.936 125.820 121.223 -0.564 0.000 2.326 255 L HA 0.432 4.771 4.340 -0.002 0.000 0.278 255 L C -0.465 176.194 176.870 -0.352 0.000 1.092 255 L CA -0.060 54.218 54.840 -0.938 0.000 0.810 255 L CB 0.376 41.761 42.059 -1.123 0.000 1.153 255 L HN 0.917 nan 8.230 nan 0.000 0.439 256 Y N 2.141 122.352 120.300 -0.149 0.000 3.037 256 Y HA -0.170 4.379 4.550 -0.002 0.000 0.204 256 Y C -1.932 173.967 175.900 -0.002 0.000 1.275 256 Y CA -0.600 57.475 58.100 -0.042 0.000 1.066 256 Y CB -2.441 36.007 38.460 -0.021 0.000 1.305 256 Y HN 0.486 nan 8.280 nan 0.000 0.499 257 P HA -0.024 nan 4.420 nan 0.000 0.269 257 P C 0.669 178.020 177.300 0.086 0.000 1.209 257 P CA -0.091 63.066 63.100 0.094 0.000 0.776 257 P CB 0.709 32.458 31.700 0.082 0.000 0.876 258 N N 2.610 121.342 118.700 0.054 0.000 2.301 258 N HA -0.108 4.631 4.740 -0.002 0.000 0.267 258 N C 0.172 175.701 175.510 0.032 0.000 1.304 258 N CA 0.514 53.580 53.050 0.027 0.000 0.851 258 N CB 0.056 38.550 38.487 0.011 0.000 1.070 258 N HN 0.383 nan 8.380 nan 0.000 0.483 259 D N 1.715 122.126 120.400 0.019 0.000 2.559 259 D HA 0.068 4.707 4.640 -0.002 0.000 0.234 259 D C 0.421 176.729 176.300 0.013 0.000 1.226 259 D CA -0.183 53.832 54.000 0.024 0.000 0.830 259 D CB -0.898 39.922 40.800 0.033 0.000 1.028 259 D HN 0.475 nan 8.370 nan 0.000 0.492 260 N N 0.052 118.758 118.700 0.010 0.000 2.270 260 N HA -0.001 4.738 4.740 -0.002 0.000 0.181 260 N C 0.698 176.247 175.510 0.064 0.000 1.016 260 N CA 0.608 53.671 53.050 0.023 0.000 0.870 260 N CB 0.258 38.759 38.487 0.024 0.000 0.979 260 N HN 0.225 nan 8.380 nan 0.000 0.431 261 A N 0.133 122.998 122.820 0.075 0.000 2.295 261 A HA 0.266 4.585 4.320 -0.002 0.000 0.318 261 A C 0.540 178.213 177.584 0.149 0.000 1.134 261 A CA -0.580 51.527 52.037 0.117 0.000 0.827 261 A CB 0.488 19.551 19.000 0.104 0.000 1.136 261 A HN 0.223 nan 8.150 nan 0.000 0.493 262 F N 0.695 120.676 119.950 0.050 0.000 2.126 262 F HA -0.160 4.366 4.527 -0.003 0.000 0.299 262 F C 1.851 177.695 175.800 0.074 0.000 1.096 262 F CA 2.517 60.556 58.000 0.064 0.000 1.255 262 F CB 0.053 39.085 39.000 0.053 0.000 0.997 262 F HN 0.726 nan 8.300 nan 0.000 0.479 263 E N 0.084 120.307 120.200 0.038 0.000 2.333 263 E HA -0.044 4.305 4.350 -0.002 0.000 0.198 263 E C 2.300 178.833 176.600 -0.111 0.000 1.007 263 E CA 1.076 57.433 56.400 -0.071 0.000 0.845 263 E CB -0.739 29.003 29.700 0.070 0.000 0.766 263 E HN 0.495 nan 8.360 nan 0.000 0.507 264 G N 0.100 108.868 108.800 -0.053 0.000 2.396 264 G HA2 -0.194 3.764 3.960 -0.002 0.000 0.214 264 G HA3 -0.194 3.764 3.960 -0.002 0.000 0.214 264 G C 1.395 176.288 174.900 -0.011 0.000 1.166 264 G CA 0.400 45.495 45.100 -0.009 0.000 0.793 264 G HN 0.186 nan 8.290 nan 0.000 0.533 265 K N 0.263 120.629 120.400 -0.057 0.000 2.097 265 K HA -0.023 4.296 4.320 -0.002 0.000 0.205 265 K C 2.373 179.021 176.600 0.079 0.000 1.050 265 K CA 1.255 57.588 56.287 0.076 0.000 0.938 265 K CB -0.069 32.477 32.500 0.077 0.000 0.718 265 K HN 0.242 nan 8.250 nan 0.000 0.442 266 K N 1.135 121.374 120.400 -0.268 0.000 2.097 266 K HA -0.119 4.199 4.320 -0.002 0.000 0.205 266 K C 2.066 178.580 176.600 -0.143 0.000 1.050 266 K CA 0.674 56.781 56.287 -0.299 0.000 0.938 266 K CB -0.043 32.111 32.500 -0.577 0.000 0.718 266 K HN -0.006 nan 8.250 nan 0.000 0.442 267 L N 1.373 122.543 121.223 -0.088 0.000 2.083 267 L HA -0.106 4.233 4.340 -0.002 0.000 0.209 267 L C 1.940 178.842 176.870 0.054 0.000 1.083 267 L CA 1.536 56.370 54.840 -0.010 0.000 0.752 267 L CB -0.379 41.686 42.059 0.009 0.000 0.899 267 L HN 0.119 nan 8.230 nan 0.000 0.433 268 R N -0.569 120.001 120.500 0.116 0.000 2.066 268 R HA -0.118 4.220 4.340 -0.002 0.000 0.232 268 R C 2.207 178.582 176.300 0.125 0.000 1.131 268 R CA 1.572 57.801 56.100 0.215 0.000 0.955 268 R CB -1.223 29.321 30.300 0.407 0.000 0.851 268 R HN 0.353 nan 8.270 nan 0.000 0.432 269 L N 1.269 122.415 121.223 -0.127 0.000 2.012 269 L HA -0.137 4.201 4.340 -0.002 0.000 0.210 269 L C 2.360 179.143 176.870 -0.146 0.000 1.073 269 L CA 1.690 56.250 54.840 -0.467 0.000 0.748 269 L CB -0.520 40.928 42.059 -1.018 0.000 0.891 269 L HN 0.132 nan 8.230 nan 0.000 0.431 270 M N -1.383 118.176 119.600 -0.067 0.000 2.106 270 M HA -0.307 4.172 4.480 -0.002 0.000 0.259 270 M C 2.280 178.678 176.300 0.162 0.000 1.068 270 M CA 1.945 57.289 55.300 0.074 0.000 1.100 270 M CB -0.510 32.123 32.600 0.055 0.000 1.351 270 M HN 0.384 nan 8.290 nan 0.000 0.404 271 Q N 0.020 119.904 119.800 0.141 0.000 2.077 271 Q HA -0.258 4.081 4.340 -0.002 0.000 0.206 271 Q C 2.064 178.207 176.000 0.238 0.000 0.989 271 Q CA 1.775 57.705 55.803 0.212 0.000 0.853 271 Q CB -0.281 28.588 28.738 0.218 0.000 0.907 271 Q HN 0.627 nan 8.270 nan 0.000 0.418 272 Q N -0.626 119.284 119.800 0.185 0.000 2.084 272 Q HA -0.216 4.123 4.340 -0.002 0.000 0.202 272 Q C 1.881 177.948 176.000 0.111 0.000 0.978 272 Q CA 1.513 57.418 55.803 0.170 0.000 0.844 272 Q CB -0.259 28.583 28.738 0.174 0.000 0.898 272 Q HN 0.416 nan 8.270 nan 0.000 0.426 273 Y N 0.452 120.757 120.300 0.008 0.000 2.200 273 Y HA -0.253 4.296 4.550 -0.002 0.000 0.290 273 Y C 1.903 177.820 175.900 0.028 0.000 1.137 273 Y CA 1.308 59.383 58.100 -0.042 0.000 1.163 273 Y CB -0.354 38.037 38.460 -0.115 0.000 0.988 273 Y HN 0.130 nan 8.280 nan 0.000 0.518 274 F N 1.005 120.812 119.950 -0.238 0.000 2.113 274 F HA -0.168 4.358 4.527 -0.002 0.000 0.297 274 F C 2.546 178.155 175.800 -0.318 0.000 1.103 274 F CA 2.201 60.031 58.000 -0.283 0.000 1.248 274 F CB -0.889 38.078 39.000 -0.055 0.000 0.999 274 F HN 0.158 nan 8.300 nan 0.000 0.475 275 Q N -0.268 119.449 119.800 -0.138 0.000 2.077 275 Q HA -0.263 4.075 4.340 -0.002 0.000 0.206 275 Q C 2.343 178.146 176.000 -0.328 0.000 0.989 275 Q CA 2.664 58.365 55.803 -0.170 0.000 0.853 275 Q CB -0.575 28.242 28.738 0.132 0.000 0.907 275 Q HN 0.584 nan 8.270 nan 0.000 0.418 276 C N -0.440 118.698 119.300 -0.270 0.000 2.466 276 C HA 0.059 4.518 4.460 -0.002 0.000 0.278 276 C C 2.812 177.570 174.990 -0.386 0.000 1.288 276 C CA 0.521 59.398 59.018 -0.236 0.000 1.722 276 C CB -1.149 26.524 27.740 -0.111 0.000 2.017 276 C HN 0.698 nan 8.230 nan 0.000 0.488 277 A N -0.477 121.978 122.820 -0.607 0.000 1.933 277 A HA -0.211 4.108 4.320 -0.002 0.000 0.218 277 A C 2.082 179.295 177.584 -0.618 0.000 1.175 277 A CA 2.302 53.987 52.037 -0.586 0.000 0.628 277 A CB -0.953 17.569 19.000 -0.797 0.000 0.814 277 A HN 0.690 nan 8.150 nan 0.000 0.444 278 C N -0.933 117.783 119.300 -0.974 0.000 2.486 278 C HA 0.012 4.471 4.460 -0.002 0.000 0.279 278 C C 3.184 177.551 174.990 -1.038 0.000 1.302 278 C CA 0.922 59.120 59.018 -1.366 0.000 1.720 278 C CB -1.171 24.982 27.740 -2.645 0.000 2.030 278 C HN 0.594 nan 8.230 nan 0.000 0.490 279 S N 1.284 116.529 115.700 -0.758 0.000 2.368 279 S HA -0.134 4.335 4.470 -0.002 0.000 0.225 279 S C 1.915 176.243 174.600 -0.455 0.000 1.030 279 S CA 1.433 59.301 58.200 -0.553 0.000 0.999 279 S CB -0.402 62.462 63.200 -0.559 0.000 0.844 279 S HN 0.489 nan 8.310 nan 0.000 0.459 280 V N 1.915 121.643 119.914 -0.310 0.000 2.427 280 V HA -0.153 3.966 4.120 -0.002 0.000 0.248 280 V C 2.631 178.640 176.094 -0.141 0.000 1.051 280 V CA 1.586 63.784 62.300 -0.170 0.000 1.048 280 V CB -1.154 30.628 31.823 -0.069 0.000 0.666 280 V HN 0.539 nan 8.190 nan 0.000 0.456 281 A N -0.064 122.643 122.820 -0.188 0.000 1.898 281 A HA -0.283 4.036 4.320 -0.002 0.000 0.216 281 A C 2.032 179.584 177.584 -0.054 0.000 1.181 281 A CA 2.133 54.097 52.037 -0.122 0.000 0.620 281 A CB -0.651 18.245 19.000 -0.173 0.000 0.819 281 A HN 0.573 nan 8.150 nan 0.000 0.442 282 D N -0.277 120.106 120.400 -0.030 0.000 2.117 282 D HA -0.101 4.538 4.640 -0.002 0.000 0.197 282 D C 1.715 178.085 176.300 0.117 0.000 0.987 282 D CA 1.248 55.332 54.000 0.140 0.000 0.829 282 D CB -0.183 40.862 40.800 0.408 0.000 0.961 282 D HN 0.479 nan 8.370 nan 0.000 0.460 283 I N -0.005 120.596 120.570 0.052 0.000 2.252 283 I HA -0.211 3.957 4.170 -0.002 0.000 0.245 283 I C 2.162 178.296 176.117 0.029 0.000 1.102 283 I CA 0.662 61.997 61.300 0.059 0.000 1.385 283 I CB -0.093 37.898 38.000 -0.016 0.000 1.064 283 I HN 0.127 nan 8.210 nan 0.000 0.414 284 L N 0.140 121.363 121.223 0.000 0.000 2.217 284 L HA -0.128 4.211 4.340 -0.002 0.000 0.211 284 L C 2.682 179.601 176.870 0.082 0.000 1.107 284 L CA 0.832 55.681 54.840 0.015 0.000 0.783 284 L CB -0.503 41.554 42.059 -0.004 0.000 0.919 284 L HN 0.261 nan 8.230 nan 0.000 0.442 285 R N 0.619 121.160 120.500 0.068 0.000 2.090 285 R HA -0.153 4.186 4.340 -0.002 0.000 0.228 285 R C 2.428 178.786 176.300 0.097 0.000 1.110 285 R CA 1.064 57.216 56.100 0.087 0.000 0.973 285 R CB -0.071 30.266 30.300 0.062 0.000 0.869 285 R HN 0.184 nan 8.270 nan 0.000 0.440 286 R N -0.699 119.843 120.500 0.070 0.000 2.096 286 R HA -0.195 4.144 4.340 -0.002 0.000 0.235 286 R C 2.098 178.399 176.300 0.002 0.000 1.127 286 R CA 1.951 58.060 56.100 0.015 0.000 0.968 286 R CB -0.325 29.965 30.300 -0.017 0.000 0.861 286 R HN 0.353 nan 8.270 nan 0.000 0.440 287 H N -0.419 118.611 119.070 -0.067 0.000 2.293 287 H HA -0.165 4.390 4.556 -0.002 0.000 0.300 287 H C 2.143 177.409 175.328 -0.104 0.000 1.082 287 H CA 2.285 58.266 56.048 -0.113 0.000 1.308 287 H CB -0.320 29.388 29.762 -0.089 0.000 1.375 287 H HN 0.286 nan 8.280 nan 0.000 0.495 288 H N 0.146 119.198 119.070 -0.030 0.000 2.319 288 H HA -0.128 4.427 4.556 -0.002 0.000 0.299 288 H C 2.069 177.327 175.328 -0.116 0.000 1.092 288 H CA 1.536 57.537 56.048 -0.079 0.000 1.302 288 H CB -0.162 29.591 29.762 -0.015 0.000 1.373 288 H HN 0.312 nan 8.280 nan 0.000 0.497 289 L N 0.932 122.091 121.223 -0.107 0.000 2.265 289 L HA -0.096 4.243 4.340 -0.002 0.000 0.215 289 L C 2.481 179.211 176.870 -0.233 0.000 1.117 289 L CA 1.337 56.076 54.840 -0.168 0.000 0.782 289 L CB -1.268 40.750 42.059 -0.069 0.000 0.914 289 L HN 0.333 nan 8.230 nan 0.000 0.441 290 A N -1.358 121.303 122.820 -0.265 0.000 2.251 290 A HA 0.320 4.639 4.320 -0.002 0.000 0.209 290 A C 1.769 179.151 177.584 -0.336 0.000 1.187 290 A CA 0.803 52.663 52.037 -0.294 0.000 0.823 290 A CB -0.262 18.535 19.000 -0.339 0.000 0.846 290 A HN 0.514 nan 8.150 nan 0.000 0.486 291 G N -0.678 107.903 108.800 -0.365 0.000 2.179 291 G HA2 -0.285 3.674 3.960 -0.002 0.000 0.260 291 G HA3 -0.285 3.674 3.960 -0.002 0.000 0.260 291 G C 0.413 175.101 174.900 -0.353 0.000 0.977 291 G CA 0.435 45.338 45.100 -0.329 0.000 0.641 291 G HN 0.659 nan 8.290 nan 0.000 0.533 292 R N -0.029 120.159 120.500 -0.520 0.000 2.637 292 R HA 0.544 4.883 4.340 -0.002 0.000 0.269 292 R C 0.145 176.218 176.300 -0.378 0.000 1.089 292 R CA -0.388 55.340 56.100 -0.621 0.000 1.177 292 R CB 0.429 29.981 30.300 -1.246 0.000 1.091 292 R HN -0.050 nan 8.270 nan 0.000 0.540 293 K N 1.841 122.101 120.400 -0.234 0.000 2.143 293 K HA 0.070 4.388 4.320 -0.002 0.000 0.272 293 K C 0.870 177.473 176.600 0.005 0.000 1.001 293 K CA -0.492 55.748 56.287 -0.079 0.000 0.915 293 K CB 1.196 33.647 32.500 -0.081 0.000 1.047 293 K HN 0.312 nan 8.250 nan 0.000 0.458 294 L N 3.793 125.045 121.223 0.048 0.000 2.043 294 L HA -0.221 4.118 4.340 -0.002 0.000 0.212 294 L C 2.293 179.141 176.870 -0.036 0.000 1.075 294 L CA 2.017 56.857 54.840 0.000 0.000 0.752 294 L CB -0.751 41.250 42.059 -0.097 0.000 0.891 294 L HN 0.807 nan 8.230 nan 0.000 0.432 295 H N -0.163 118.909 119.070 0.005 0.000 2.545 295 H HA -0.086 4.468 4.556 -0.002 0.000 0.282 295 H C 0.960 176.302 175.328 0.022 0.000 1.020 295 H CA 1.198 57.246 56.048 -0.000 0.000 1.243 295 H CB -0.451 29.317 29.762 0.011 0.000 1.377 295 H HN 0.704 nan 8.280 nan 0.000 0.581 296 E N 0.934 120.887 120.200 -0.411 0.000 2.451 296 E HA 0.107 4.455 4.350 -0.002 0.000 0.194 296 E C 1.675 178.307 176.600 0.053 0.000 1.027 296 E CA -0.349 55.952 56.400 -0.165 0.000 0.914 296 E CB 0.050 29.649 29.700 -0.167 0.000 1.054 296 E HN 0.289 nan 8.360 nan 0.000 0.461 297 L N 1.144 122.295 121.223 -0.120 0.000 2.013 297 L HA -0.227 4.112 4.340 -0.002 0.000 0.212 297 L C 2.404 179.180 176.870 -0.158 0.000 1.073 297 L CA 2.055 56.686 54.840 -0.349 0.000 0.753 297 L CB -0.465 41.324 42.059 -0.449 0.000 0.890 297 L HN 0.371 nan 8.230 nan 0.000 0.432 298 A N -0.874 121.849 122.820 -0.162 0.000 2.125 298 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 298 A C 1.635 179.126 177.584 -0.155 0.000 1.156 298 A CA 1.645 53.575 52.037 -0.180 0.000 0.671 298 A CB -0.436 18.433 19.000 -0.218 0.000 0.794 298 A HN 0.526 nan 8.150 nan 0.000 0.459 299 D N -2.238 118.093 120.400 -0.116 0.000 2.347 299 D HA 0.008 4.647 4.640 -0.002 0.000 0.213 299 D C 0.559 176.590 176.300 -0.448 0.000 0.985 299 D CA 0.941 54.782 54.000 -0.265 0.000 0.879 299 D CB 0.017 40.625 40.800 -0.320 0.000 0.919 299 D HN 0.679 nan 8.370 nan 0.000 0.526 300 Y N 0.019 120.313 120.300 -0.010 0.000 2.452 300 Y HA 0.190 4.739 4.550 -0.002 0.000 0.262 300 Y C 0.580 176.503 175.900 0.038 0.000 1.089 300 Y CA -0.141 57.985 58.100 0.042 0.000 1.262 300 Y CB 1.144 39.690 38.460 0.143 0.000 1.236 300 Y HN -0.277 nan 8.280 nan 0.000 0.512 301 E N 0.645 120.907 120.200 0.103 0.000 2.266 301 E HA 0.516 4.865 4.350 -0.002 0.000 0.268 301 E C -1.381 175.192 176.600 -0.045 0.000 0.879 301 E CA -0.703 55.722 56.400 0.041 0.000 0.762 301 E CB 3.258 32.947 29.700 -0.019 0.000 1.199 301 E HN -0.130 nan 8.360 nan 0.000 0.422 302 V N 3.203 123.094 119.914 -0.039 0.000 2.735 302 V HA 0.552 4.671 4.120 -0.002 0.000 0.310 302 V C -1.182 174.876 176.094 -0.059 0.000 1.061 302 V CA -0.674 61.611 62.300 -0.026 0.000 0.913 302 V CB 1.564 33.435 31.823 0.081 0.000 1.005 302 V HN 0.610 nan 8.190 nan 0.000 0.428 303 I N 5.333 125.879 120.570 -0.038 0.000 2.382 303 I HA 0.421 4.590 4.170 -0.002 0.000 0.285 303 I C -0.546 175.665 176.117 0.156 0.000 1.007 303 I CA -0.564 60.745 61.300 0.015 0.000 1.142 303 I CB 1.783 39.719 38.000 -0.108 0.000 1.289 303 I HN 0.630 nan 8.210 nan 0.000 0.453 304 Q N 6.743 126.614 119.800 0.118 0.000 2.294 304 Q HA 0.480 4.818 4.340 -0.002 0.000 0.257 304 Q C -1.339 174.699 176.000 0.064 0.000 0.955 304 Q CA -0.005 55.890 55.803 0.154 0.000 0.936 304 Q CB 1.050 29.918 28.738 0.217 0.000 1.188 304 Q HN 0.562 nan 8.270 nan 0.000 0.420 305 L N 4.221 125.532 121.223 0.146 0.000 2.272 305 L HA 0.476 4.814 4.340 -0.002 0.000 0.289 305 L C -0.156 176.826 176.870 0.187 0.000 1.032 305 L CA -0.589 54.342 54.840 0.152 0.000 0.810 305 L CB 1.173 43.338 42.059 0.176 0.000 1.205 305 L HN 0.566 nan 8.230 nan 0.000 0.422 306 N N 4.218 122.997 118.700 0.132 0.000 2.462 306 N HA 0.180 4.919 4.740 -0.002 0.000 0.242 306 N C -0.594 175.087 175.510 0.286 0.000 1.010 306 N CA -0.147 53.053 53.050 0.250 0.000 0.939 306 N CB 1.092 39.659 38.487 0.134 0.000 1.127 306 N HN 0.659 nan 8.380 nan 0.000 0.509 307 D N -0.324 120.336 120.400 0.434 0.000 3.856 307 D HA -0.195 4.444 4.640 -0.002 0.000 0.276 307 D C 0.996 177.443 176.300 0.244 0.000 2.073 307 D CA 1.477 55.688 54.000 0.351 0.000 1.163 307 D CB -0.240 40.586 40.800 0.043 0.000 0.937 307 D HN 0.525 nan 8.370 nan 0.000 1.140 308 T N -3.073 111.484 114.554 0.004 0.000 3.129 308 T HA 0.088 4.436 4.350 -0.002 0.000 0.251 308 T C 1.529 176.251 174.700 0.038 0.000 1.117 308 T CA 1.506 63.590 62.100 -0.027 0.000 1.034 308 T CB -0.374 68.482 68.868 -0.019 0.000 0.968 308 T HN 0.481 nan 8.240 nan 0.000 0.526 309 H N 2.745 121.937 119.070 0.202 0.000 2.319 309 H HA 0.006 4.561 4.556 -0.001 0.000 0.297 309 H C -0.894 174.538 175.328 0.173 0.000 1.097 309 H CA 1.443 57.624 56.048 0.223 0.000 1.285 309 H CB -0.954 28.954 29.762 0.244 0.000 1.368 309 H HN 0.432 nan 8.280 nan 0.000 0.495 310 P HA 0.103 nan 4.420 nan 0.000 0.249 310 P C 0.382 177.700 177.300 0.030 0.000 1.583 310 P CA 0.369 63.553 63.100 0.140 0.000 0.988 310 P CB 0.343 32.131 31.700 0.146 0.000 1.530 311 T N 0.335 114.895 114.554 0.011 0.000 2.684 311 T HA -0.177 4.172 4.350 -0.002 0.000 0.267 311 T C 1.595 176.229 174.700 -0.110 0.000 1.036 311 T CA 1.159 63.202 62.100 -0.095 0.000 1.148 311 T CB -0.747 68.086 68.868 -0.059 0.000 0.863 311 T HN 0.088 nan 8.240 nan 0.000 0.436 312 I N 1.488 122.046 120.570 -0.020 0.000 2.623 312 I HA -0.164 4.004 4.170 -0.002 0.000 0.261 312 I C 2.371 178.499 176.117 0.019 0.000 1.204 312 I CA 0.587 61.892 61.300 0.007 0.000 1.444 312 I CB -0.436 37.578 38.000 0.024 0.000 1.094 312 I HN 0.207 nan 8.210 nan 0.000 0.451 313 A N 0.217 123.012 122.820 -0.043 0.000 2.024 313 A HA -0.211 4.107 4.320 -0.002 0.000 0.220 313 A C 2.282 179.785 177.584 -0.134 0.000 1.164 313 A CA 1.897 53.919 52.037 -0.025 0.000 0.643 313 A CB -0.859 18.163 19.000 0.037 0.000 0.806 313 A HN 0.520 nan 8.150 nan 0.000 0.451 314 I N 0.221 120.511 120.570 -0.467 0.000 2.133 314 I HA -0.142 4.026 4.170 -0.002 0.000 0.238 314 I C -0.397 175.664 176.117 -0.093 0.000 1.074 314 I CA 1.457 62.431 61.300 -0.543 0.000 1.342 314 I CB -1.025 36.612 38.000 -0.605 0.000 1.053 314 I HN 0.241 nan 8.210 nan 0.000 0.404 315 P HA -0.158 nan 4.420 nan 0.000 0.223 315 P C 1.217 178.589 177.300 0.120 0.000 1.151 315 P CA 1.388 64.542 63.100 0.090 0.000 0.787 315 P CB 0.043 31.830 31.700 0.146 0.000 0.788 316 E N 0.506 120.847 120.200 0.235 0.000 2.046 316 E HA -0.146 4.203 4.350 -0.002 0.000 0.190 316 E C 1.906 178.606 176.600 0.166 0.000 0.982 316 E CA 0.738 57.325 56.400 0.311 0.000 0.800 316 E CB -1.319 28.582 29.700 0.336 0.000 0.756 316 E HN 0.004 nan 8.360 nan 0.000 0.449 317 L N 0.354 121.673 121.223 0.161 0.000 2.042 317 L HA -0.083 4.256 4.340 -0.002 0.000 0.210 317 L C 2.221 179.136 176.870 0.075 0.000 1.076 317 L CA 1.667 56.589 54.840 0.137 0.000 0.749 317 L CB -0.665 41.533 42.059 0.232 0.000 0.893 317 L HN 0.293 nan 8.230 nan 0.000 0.432 318 L N -0.637 120.611 121.223 0.042 0.000 2.042 318 L HA -0.244 4.095 4.340 -0.002 0.000 0.210 318 L C 2.812 179.689 176.870 0.012 0.000 1.076 318 L CA 1.764 56.590 54.840 -0.024 0.000 0.749 318 L CB -0.673 41.336 42.059 -0.083 0.000 0.893 318 L HN 0.358 nan 8.230 nan 0.000 0.432 319 R N 0.273 120.776 120.500 0.004 0.000 2.080 319 R HA -0.175 4.163 4.340 -0.002 0.000 0.236 319 R C 2.200 178.532 176.300 0.054 0.000 1.137 319 R CA 2.110 58.205 56.100 -0.009 0.000 0.943 319 R CB -0.425 29.784 30.300 -0.150 0.000 0.846 319 R HN 0.155 nan 8.270 nan 0.000 0.431 320 V N 1.543 121.507 119.914 0.083 0.000 2.255 320 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 320 V C 2.498 178.686 176.094 0.156 0.000 1.051 320 V CA 1.562 63.923 62.300 0.101 0.000 1.018 320 V CB -0.554 31.344 31.823 0.125 0.000 0.641 320 V HN 0.291 nan 8.190 nan 0.000 0.445 321 L N -0.731 120.595 121.223 0.173 0.000 2.042 321 L HA -0.142 4.197 4.340 -0.002 0.000 0.210 321 L C 2.220 179.179 176.870 0.149 0.000 1.076 321 L CA 1.893 56.850 54.840 0.195 0.000 0.749 321 L CB -1.062 41.042 42.059 0.076 0.000 0.893 321 L HN 0.276 nan 8.230 nan 0.000 0.432 322 I N -0.646 119.985 120.570 0.101 0.000 2.233 322 I HA -0.232 3.937 4.170 -0.002 0.000 0.243 322 I C 1.871 178.044 176.117 0.093 0.000 1.093 322 I CA 1.080 62.447 61.300 0.111 0.000 1.380 322 I CB -0.229 37.853 38.000 0.137 0.000 1.067 322 I HN 0.214 nan 8.210 nan 0.000 0.413 323 D N 0.349 120.791 120.400 0.069 0.000 2.216 323 D HA -0.074 4.564 4.640 -0.002 0.000 0.208 323 D C 1.837 178.130 176.300 -0.011 0.000 0.960 323 D CA 0.961 54.989 54.000 0.047 0.000 0.861 323 D CB -0.039 40.803 40.800 0.070 0.000 0.985 323 D HN 0.403 nan 8.370 nan 0.000 0.493 324 E N -0.609 119.535 120.200 -0.092 0.000 2.460 324 E HA 0.049 4.398 4.350 -0.002 0.000 0.200 324 E C 0.693 177.039 176.600 -0.423 0.000 1.011 324 E CA 0.311 56.545 56.400 -0.276 0.000 0.912 324 E CB 0.459 29.929 29.700 -0.383 0.000 0.953 324 E HN 0.352 nan 8.360 nan 0.000 0.494 325 H N 0.088 119.176 119.070 0.031 0.000 2.923 325 H HA 0.176 4.731 4.556 -0.002 0.000 0.268 325 H C -0.114 175.238 175.328 0.040 0.000 1.148 325 H CA 0.037 56.103 56.048 0.030 0.000 1.146 325 H CB 0.895 30.674 29.762 0.028 0.000 1.607 325 H HN -0.005 nan 8.280 nan 0.000 0.566 326 Q N 0.066 119.933 119.800 0.112 0.000 2.461 326 Q HA -0.189 4.150 4.340 -0.002 0.000 0.273 326 Q C -0.084 175.981 176.000 0.108 0.000 1.163 326 Q CA 0.562 56.421 55.803 0.094 0.000 0.929 326 Q CB -1.780 27.002 28.738 0.073 0.000 1.334 326 Q HN 0.505 nan 8.270 nan 0.000 0.499 327 M N 0.330 120.006 119.600 0.126 0.000 2.243 327 M HA 0.165 4.644 4.480 -0.002 0.000 0.341 327 M C 0.870 177.244 176.300 0.124 0.000 1.130 327 M CA 0.242 55.609 55.300 0.112 0.000 1.162 327 M CB 0.814 33.474 32.600 0.100 0.000 1.497 327 M HN 0.341 nan 8.290 nan 0.000 0.456 328 S N 2.484 118.258 115.700 0.124 0.000 2.589 328 S HA -0.006 4.463 4.470 -0.002 0.000 0.265 328 S C 0.876 175.609 174.600 0.221 0.000 1.342 328 S CA -0.726 57.574 58.200 0.166 0.000 1.005 328 S CB 0.604 63.891 63.200 0.146 0.000 0.909 328 S HN 0.956 nan 8.310 nan 0.000 0.555 329 W N 1.700 123.053 121.300 0.088 0.000 2.335 329 W HA -0.178 4.480 4.660 -0.003 0.000 0.311 329 W C 0.916 177.531 176.519 0.160 0.000 1.213 329 W CA 2.141 59.555 57.345 0.115 0.000 1.274 329 W CB -0.694 28.808 29.460 0.071 0.000 1.148 329 W HN 0.757 nan 8.180 nan 0.000 0.498 330 D N 0.337 120.939 120.400 0.336 0.000 2.144 330 D HA -0.168 4.471 4.640 -0.002 0.000 0.200 330 D C 1.547 177.950 176.300 0.171 0.000 0.978 330 D CA 1.579 55.737 54.000 0.264 0.000 0.833 330 D CB -0.594 40.345 40.800 0.231 0.000 0.961 330 D HN 0.144 nan 8.370 nan 0.000 0.470 331 D N 0.237 120.713 120.400 0.127 0.000 2.178 331 D HA -0.035 4.604 4.640 -0.002 0.000 0.202 331 D C 1.967 178.297 176.300 0.051 0.000 0.974 331 D CA 0.891 54.944 54.000 0.088 0.000 0.841 331 D CB -0.118 40.728 40.800 0.076 0.000 0.953 331 D HN 0.122 nan 8.370 nan 0.000 0.478 332 A N 0.544 123.374 122.820 0.016 0.000 1.872 332 A HA -0.135 4.184 4.320 -0.002 0.000 0.214 332 A C 2.135 179.664 177.584 -0.091 0.000 1.187 332 A CA 0.765 52.772 52.037 -0.051 0.000 0.614 332 A CB -1.173 17.773 19.000 -0.090 0.000 0.826 332 A HN 0.397 nan 8.150 nan 0.000 0.442 333 W N 0.947 122.043 121.300 -0.339 0.000 2.350 333 W HA -0.226 4.432 4.660 -0.003 0.000 0.289 333 W C 2.184 178.642 176.519 -0.101 0.000 1.215 333 W CA 1.946 59.123 57.345 -0.280 0.000 1.236 333 W CB -0.139 29.131 29.460 -0.316 0.000 1.130 333 W HN 0.436 nan 8.180 nan 0.000 0.541 334 A N 0.294 123.147 122.820 0.054 0.000 1.969 334 A HA -0.145 4.173 4.320 -0.002 0.000 0.218 334 A C 1.962 179.496 177.584 -0.084 0.000 1.169 334 A CA 1.609 53.657 52.037 0.019 0.000 0.635 334 A CB -0.817 18.230 19.000 0.080 0.000 0.810 334 A HN 0.312 nan 8.150 nan 0.000 0.445 335 I N -0.039 120.472 120.570 -0.098 0.000 2.233 335 I HA -0.187 3.982 4.170 -0.002 0.000 0.243 335 I C 2.905 178.893 176.117 -0.215 0.000 1.093 335 I CA 1.771 62.989 61.300 -0.137 0.000 1.380 335 I CB -0.441 37.493 38.000 -0.111 0.000 1.067 335 I HN 0.508 nan 8.210 nan 0.000 0.413 336 T N -1.658 112.742 114.554 -0.257 0.000 2.812 336 T HA -0.136 4.213 4.350 -0.002 0.000 0.264 336 T C 1.962 176.494 174.700 -0.281 0.000 1.042 336 T CA 1.263 63.223 62.100 -0.233 0.000 1.140 336 T CB -0.759 68.014 68.868 -0.159 0.000 0.870 336 T HN 0.402 nan 8.240 nan 0.000 0.445 337 S N 1.263 116.614 115.700 -0.583 0.000 2.507 337 S HA 0.052 4.521 4.470 -0.002 0.000 0.235 337 S C 1.596 176.105 174.600 -0.152 0.000 0.988 337 S CA 0.202 58.101 58.200 -0.500 0.000 0.944 337 S CB -0.319 62.464 63.200 -0.695 0.000 0.762 337 S HN 0.377 nan 8.310 nan 0.000 0.526 338 K N 0.556 120.846 120.400 -0.185 0.000 2.373 338 K HA 0.306 4.625 4.320 -0.002 0.000 0.202 338 K C 0.776 177.218 176.600 -0.262 0.000 1.025 338 K CA 0.231 56.373 56.287 -0.241 0.000 1.115 338 K CB 0.316 32.649 32.500 -0.279 0.000 0.858 338 K HN 0.359 nan 8.250 nan 0.000 0.525 339 T N -0.050 114.436 114.554 -0.112 0.000 3.056 339 T HA 0.231 4.580 4.350 -0.002 0.000 0.241 339 T C 0.079 174.773 174.700 -0.010 0.000 1.006 339 T CA 0.193 62.162 62.100 -0.219 0.000 1.115 339 T CB 0.109 68.662 68.868 -0.525 0.000 0.939 339 T HN -0.071 nan 8.240 nan 0.000 0.462 340 F N 1.772 121.834 119.950 0.187 0.000 2.385 340 F HA 0.691 5.217 4.527 -0.002 0.000 0.336 340 F C 0.479 176.240 175.800 -0.065 0.000 1.100 340 F CA -1.231 56.826 58.000 0.094 0.000 1.116 340 F CB 0.761 39.734 39.000 -0.045 0.000 1.166 340 F HN 0.027 nan 8.300 nan 0.000 0.511 341 A N 2.656 125.513 122.820 0.062 0.000 2.423 341 A HA 0.721 5.039 4.320 -0.002 0.000 0.304 341 A C -2.187 175.427 177.584 0.051 0.000 1.104 341 A CA -0.637 51.249 52.037 -0.252 0.000 0.757 341 A CB 1.289 20.050 19.000 -0.399 0.000 1.313 341 A HN 0.665 nan 8.150 nan 0.000 0.423 342 Y N 0.566 120.778 120.300 -0.147 0.000 2.409 342 Y HA 0.667 5.215 4.550 -0.003 0.000 0.343 342 Y C -0.578 175.322 175.900 0.000 0.000 0.973 342 Y CA -0.677 57.388 58.100 -0.058 0.000 1.064 342 Y CB 2.031 40.420 38.460 -0.118 0.000 1.207 342 Y HN 0.541 nan 8.280 nan 0.000 0.452 343 T N 6.938 121.323 114.554 -0.281 0.000 2.770 343 T HA 0.225 4.574 4.350 -0.002 0.000 0.283 343 T C -0.638 173.658 174.700 -0.673 0.000 0.988 343 T CA -0.813 61.034 62.100 -0.422 0.000 0.957 343 T CB 0.209 69.003 68.868 -0.124 0.000 0.930 343 T HN 0.690 nan 8.240 nan 0.000 0.443 344 N N 2.422 120.735 118.700 -0.645 0.000 2.444 344 N HA 0.079 4.818 4.740 -0.002 0.000 0.271 344 N C 0.219 175.709 175.510 -0.033 0.000 1.069 344 N CA -0.271 52.652 53.050 -0.212 0.000 0.965 344 N CB 0.574 39.101 38.487 0.068 0.000 1.092 344 N HN 0.685 nan 8.380 nan 0.000 0.476 345 H N 1.634 120.752 119.070 0.080 0.000 2.652 345 H HA 0.125 4.680 4.556 -0.002 0.000 0.274 345 H C -0.109 175.166 175.328 -0.089 0.000 1.021 345 H CA 0.122 56.169 56.048 -0.002 0.000 1.187 345 H CB 1.104 30.882 29.762 0.027 0.000 1.505 345 H HN 0.526 nan 8.280 nan 0.000 0.530 346 T N 0.083 114.698 114.554 0.103 0.000 3.087 346 T HA 0.178 4.527 4.350 -0.002 0.000 0.351 346 T C 0.121 174.861 174.700 0.067 0.000 1.520 346 T CA -0.613 61.491 62.100 0.007 0.000 1.111 346 T CB 0.817 69.690 68.868 0.007 0.000 1.353 346 T HN 0.075 nan 8.240 nan 0.000 0.481 347 L N 2.696 123.926 121.223 0.012 0.000 2.591 347 L HA 0.277 4.615 4.340 -0.002 0.000 0.228 347 L C 1.004 177.849 176.870 -0.041 0.000 1.133 347 L CA -0.002 54.836 54.840 -0.003 0.000 0.880 347 L CB -0.125 41.916 42.059 -0.031 0.000 1.033 347 L HN 0.495 nan 8.230 nan 0.000 0.450 348 M N 0.934 120.495 119.600 -0.066 0.000 2.248 348 M HA 0.056 4.534 4.480 -0.002 0.000 0.345 348 M C -1.160 175.144 176.300 0.007 0.000 1.243 348 M CA -2.180 53.101 55.300 -0.032 0.000 1.090 348 M CB 0.200 32.795 32.600 -0.008 0.000 1.683 348 M HN -0.217 nan 8.290 nan 0.000 0.450 349 P HA -0.168 nan 4.420 nan 0.000 0.216 349 P C 1.020 178.306 177.300 -0.022 0.000 1.153 349 P CA 1.246 64.344 63.100 -0.005 0.000 0.848 349 P CB -0.250 31.444 31.700 -0.009 0.000 0.787 350 E N 0.753 120.940 120.200 -0.022 0.000 2.284 350 E HA -0.199 4.150 4.350 -0.002 0.000 0.200 350 E C 1.348 177.925 176.600 -0.037 0.000 1.008 350 E CA 1.893 58.261 56.400 -0.052 0.000 0.829 350 E CB -1.214 28.452 29.700 -0.058 0.000 0.744 350 E HN 0.259 nan 8.360 nan 0.000 0.491 351 A N 0.737 123.551 122.820 -0.010 0.000 2.423 351 A HA 0.349 4.668 4.320 -0.002 0.000 0.246 351 A C 1.004 178.596 177.584 0.014 0.000 1.278 351 A CA -0.366 51.663 52.037 -0.013 0.000 0.903 351 A CB 0.065 19.076 19.000 0.019 0.000 0.997 351 A HN 0.153 nan 8.150 nan 0.000 0.510 352 L N 1.265 122.494 121.223 0.010 0.000 2.679 352 L HA 0.259 4.597 4.340 -0.002 0.000 0.238 352 L C -0.413 176.437 176.870 -0.033 0.000 1.330 352 L CA -0.321 54.544 54.840 0.042 0.000 0.935 352 L CB 0.566 42.664 42.059 0.065 0.000 1.243 352 L HN 0.290 nan 8.230 nan 0.000 0.484 353 E N 1.605 121.758 120.200 -0.078 0.000 2.415 353 E HA 0.209 4.558 4.350 -0.002 0.000 0.262 353 E C -0.207 176.225 176.600 -0.280 0.000 1.038 353 E CA 0.360 56.612 56.400 -0.247 0.000 0.921 353 E CB 0.825 30.373 29.700 -0.254 0.000 0.950 353 E HN 0.336 nan 8.360 nan 0.000 0.438 354 R N 2.060 122.275 120.500 -0.476 0.000 2.686 354 R HA 0.400 4.739 4.340 -0.002 0.000 0.286 354 R C -1.331 174.630 176.300 -0.565 0.000 0.969 354 R CA -0.734 55.120 56.100 -0.410 0.000 0.898 354 R CB 1.310 31.401 30.300 -0.348 0.000 1.183 354 R HN 0.459 nan 8.270 nan 0.000 0.456 355 W N 0.961 122.214 121.300 -0.080 0.000 2.761 355 W HA 0.297 4.956 4.660 -0.001 0.000 0.340 355 W C -0.470 176.032 176.519 -0.027 0.000 1.072 355 W CA -0.689 56.637 57.345 -0.032 0.000 1.215 355 W CB 1.209 30.662 29.460 -0.012 0.000 1.420 355 W HN 0.292 nan 8.180 nan 0.000 0.519 356 D N 1.511 122.061 120.400 0.250 0.000 2.371 356 D HA 0.022 4.661 4.640 -0.002 0.000 0.256 356 D C 1.265 177.660 176.300 0.157 0.000 1.193 356 D CA 0.191 54.289 54.000 0.164 0.000 0.881 356 D CB 1.647 42.548 40.800 0.168 0.000 1.143 356 D HN 0.129 nan 8.370 nan 0.000 0.473 357 V N 3.993 123.975 119.914 0.113 0.000 2.363 357 V HA -0.305 3.813 4.120 -0.002 0.000 0.254 357 V C 2.425 178.568 176.094 0.082 0.000 1.074 357 V CA 1.957 64.312 62.300 0.091 0.000 1.069 357 V CB -0.438 31.430 31.823 0.075 0.000 0.659 357 V HN 0.670 nan 8.190 nan 0.000 0.455 358 K N -0.332 120.122 120.400 0.090 0.000 2.280 358 K HA -0.183 4.136 4.320 -0.002 0.000 0.202 358 K C 2.022 178.683 176.600 0.100 0.000 1.047 358 K CA 1.637 57.973 56.287 0.082 0.000 0.942 358 K CB -0.061 32.485 32.500 0.076 0.000 0.739 358 K HN 0.457 nan 8.250 nan 0.000 0.457 359 L N 0.552 121.855 121.223 0.133 0.000 2.253 359 L HA 0.010 4.348 4.340 -0.002 0.000 0.205 359 L C 1.915 178.809 176.870 0.039 0.000 1.078 359 L CA 0.705 55.632 54.840 0.145 0.000 0.805 359 L CB 0.098 42.292 42.059 0.225 0.000 0.963 359 L HN -0.106 nan 8.230 nan 0.000 0.459 360 V N -0.170 119.755 119.914 0.019 0.000 2.407 360 V HA -0.272 3.847 4.120 -0.002 0.000 0.248 360 V C 2.577 178.633 176.094 -0.063 0.000 1.055 360 V CA 1.941 64.200 62.300 -0.068 0.000 1.049 360 V CB -0.622 31.177 31.823 -0.040 0.000 0.662 360 V HN 0.405 nan 8.190 nan 0.000 0.455 361 K N 0.289 120.682 120.400 -0.013 0.000 2.097 361 K HA -0.108 4.210 4.320 -0.002 0.000 0.206 361 K C 2.098 178.692 176.600 -0.009 0.000 1.049 361 K CA 1.441 57.720 56.287 -0.013 0.000 0.933 361 K CB -0.541 31.968 32.500 0.016 0.000 0.717 361 K HN 0.519 nan 8.250 nan 0.000 0.442 362 G N -0.011 108.798 108.800 0.016 0.000 2.430 362 G HA2 -0.137 3.821 3.960 -0.002 0.000 0.216 362 G HA3 -0.137 3.821 3.960 -0.002 0.000 0.216 362 G C 1.213 176.130 174.900 0.029 0.000 1.146 362 G CA 0.190 45.312 45.100 0.038 0.000 0.793 362 G HN 0.118 nan 8.290 nan 0.000 0.537 363 L N -0.371 120.841 121.223 -0.020 0.000 2.168 363 L HA 0.468 4.807 4.340 -0.002 0.000 0.203 363 L C 0.999 177.807 176.870 -0.104 0.000 1.078 363 L CA 0.985 55.796 54.840 -0.047 0.000 0.780 363 L CB -0.129 41.860 42.059 -0.117 0.000 0.939 363 L HN 0.069 nan 8.230 nan 0.000 0.451 364 L N 0.443 121.546 121.223 -0.199 0.000 2.529 364 L HA 0.257 4.596 4.340 -0.002 0.000 0.246 364 L C -1.611 175.081 176.870 -0.296 0.000 1.394 364 L CA -1.112 53.517 54.840 -0.352 0.000 0.906 364 L CB 0.978 42.712 42.059 -0.542 0.000 1.170 364 L HN -0.078 nan 8.230 nan 0.000 0.501 365 P HA -0.227 nan 4.420 nan 0.000 0.216 365 P C 1.514 178.640 177.300 -0.290 0.000 1.157 365 P CA 1.285 64.247 63.100 -0.230 0.000 0.880 365 P CB 0.327 31.936 31.700 -0.151 0.000 0.791 366 R N -0.752 119.406 120.500 -0.570 0.000 2.073 366 R HA -0.112 4.226 4.340 -0.002 0.000 0.229 366 R C 2.296 178.359 176.300 -0.394 0.000 1.120 366 R CA 1.648 57.466 56.100 -0.470 0.000 0.967 366 R CB -1.646 28.269 30.300 -0.642 0.000 0.862 366 R HN 0.256 nan 8.270 nan 0.000 0.436 367 H N -0.841 117.979 119.070 -0.416 0.000 2.353 367 H HA -0.061 4.494 4.556 -0.002 0.000 0.300 367 H C 1.684 176.942 175.328 -0.117 0.000 1.090 367 H CA 1.893 57.808 56.048 -0.222 0.000 1.327 367 H CB -0.252 29.353 29.762 -0.262 0.000 1.383 367 H HN 0.108 nan 8.280 nan 0.000 0.508 368 M N 0.899 120.481 119.600 -0.029 0.000 2.080 368 M HA -0.219 4.260 4.480 -0.002 0.000 0.260 368 M C 1.883 178.188 176.300 0.008 0.000 1.068 368 M CA 1.681 56.978 55.300 -0.005 0.000 1.109 368 M CB -0.279 32.308 32.600 -0.022 0.000 1.342 368 M HN 0.262 nan 8.290 nan 0.000 0.405 369 Q N -0.597 119.188 119.800 -0.024 0.000 2.135 369 Q HA -0.188 4.151 4.340 -0.002 0.000 0.204 369 Q C 2.093 178.113 176.000 0.034 0.000 0.981 369 Q CA 1.916 57.715 55.803 -0.005 0.000 0.856 369 Q CB -0.373 28.352 28.738 -0.022 0.000 0.902 369 Q HN 0.572 nan 8.270 nan 0.000 0.425 370 I N 0.162 120.765 120.570 0.056 0.000 2.286 370 I HA -0.245 3.924 4.170 -0.002 0.000 0.245 370 I C 2.130 178.386 176.117 0.232 0.000 1.104 370 I CA 0.912 62.323 61.300 0.186 0.000 1.397 370 I CB -0.231 37.862 38.000 0.156 0.000 1.072 370 I HN 0.204 nan 8.210 nan 0.000 0.417 371 I N 0.936 121.603 120.570 0.161 0.000 2.179 371 I HA -0.308 3.860 4.170 -0.002 0.000 0.242 371 I C 2.226 178.438 176.117 0.159 0.000 1.088 371 I CA 1.325 62.728 61.300 0.171 0.000 1.357 371 I CB -0.590 37.488 38.000 0.129 0.000 1.051 371 I HN 0.298 nan 8.210 nan 0.000 0.409 372 N N 0.671 119.437 118.700 0.111 0.000 2.166 372 N HA -0.235 4.504 4.740 -0.002 0.000 0.186 372 N C 1.798 177.345 175.510 0.061 0.000 1.019 372 N CA 1.389 54.497 53.050 0.097 0.000 0.856 372 N CB -0.264 38.257 38.487 0.056 0.000 0.993 372 N HN 0.429 nan 8.380 nan 0.000 0.426 373 E N 0.994 121.194 120.200 0.000 0.000 2.072 373 E HA -0.025 4.324 4.350 -0.002 0.000 0.191 373 E C 1.955 178.486 176.600 -0.114 0.000 0.985 373 E CA 0.808 57.099 56.400 -0.181 0.000 0.801 373 E CB -0.180 29.273 29.700 -0.411 0.000 0.750 373 E HN 0.328 nan 8.360 nan 0.000 0.452 374 I N 0.693 121.344 120.570 0.135 0.000 2.252 374 I HA -0.234 3.935 4.170 -0.002 0.000 0.245 374 I C 2.319 178.575 176.117 0.232 0.000 1.102 374 I CA 1.218 62.654 61.300 0.227 0.000 1.385 374 I CB -0.450 37.757 38.000 0.345 0.000 1.064 374 I HN 0.224 nan 8.210 nan 0.000 0.414 375 N N 0.698 119.556 118.700 0.263 0.000 2.084 375 N HA -0.172 4.566 4.740 -0.002 0.000 0.190 375 N C 1.781 177.520 175.510 0.381 0.000 1.030 375 N CA 2.115 55.410 53.050 0.408 0.000 0.849 375 N CB -0.230 38.478 38.487 0.369 0.000 1.012 375 N HN 0.136 nan 8.380 nan 0.000 0.423 376 T N 0.342 115.003 114.554 0.178 0.000 2.635 376 T HA -0.126 4.223 4.350 -0.002 0.000 0.267 376 T C 1.885 176.587 174.700 0.003 0.000 1.040 376 T CA 1.376 63.504 62.100 0.046 0.000 1.156 376 T CB -0.218 68.627 68.868 -0.039 0.000 0.863 376 T HN 0.298 nan 8.240 nan 0.000 0.430 377 R N -0.272 120.221 120.500 -0.013 0.000 2.120 377 R HA -0.000 4.339 4.340 -0.002 0.000 0.234 377 R C 2.136 178.512 176.300 0.125 0.000 1.123 377 R CA 1.019 57.104 56.100 -0.024 0.000 0.975 377 R CB -0.388 29.841 30.300 -0.118 0.000 0.866 377 R HN 0.317 nan 8.270 nan 0.000 0.446 378 F N 2.012 122.024 119.950 0.104 0.000 2.234 378 F HA -0.090 4.435 4.527 -0.004 0.000 0.299 378 F C 2.076 178.012 175.800 0.227 0.000 1.087 378 F CA 1.232 59.380 58.000 0.246 0.000 1.340 378 F CB -0.105 39.136 39.000 0.402 0.000 1.031 378 F HN -0.206 nan 8.300 nan 0.000 0.500 379 K N -0.394 119.961 120.400 -0.075 0.000 2.103 379 K HA -0.173 4.146 4.320 -0.002 0.000 0.207 379 K C 1.970 178.339 176.600 -0.385 0.000 1.048 379 K CA 1.858 57.799 56.287 -0.577 0.000 0.930 379 K CB -0.338 31.722 32.500 -0.733 0.000 0.716 379 K HN 0.246 nan 8.250 nan 0.000 0.444 380 T N 2.077 116.502 114.554 -0.216 0.000 2.597 380 T HA -0.216 4.133 4.350 -0.002 0.000 0.267 380 T C 1.678 176.304 174.700 -0.125 0.000 1.053 380 T CA 1.557 63.569 62.100 -0.146 0.000 1.165 380 T CB -0.326 68.494 68.868 -0.081 0.000 0.863 380 T HN 0.116 nan 8.240 nan 0.000 0.427 381 L N 1.005 122.174 121.223 -0.091 0.000 2.012 381 L HA -0.072 4.267 4.340 -0.002 0.000 0.210 381 L C 2.567 179.371 176.870 -0.111 0.000 1.073 381 L CA 1.518 56.318 54.840 -0.066 0.000 0.748 381 L CB -0.952 41.133 42.059 0.045 0.000 0.891 381 L HN 0.118 nan 8.230 nan 0.000 0.431 382 V N -0.385 119.407 119.914 -0.203 0.000 2.343 382 V HA -0.266 3.852 4.120 -0.002 0.000 0.247 382 V C 2.614 178.764 176.094 0.093 0.000 1.051 382 V CA 1.739 64.048 62.300 0.015 0.000 1.036 382 V CB -0.552 31.255 31.823 -0.028 0.000 0.654 382 V HN 0.574 nan 8.190 nan 0.000 0.451 383 E N 1.237 121.386 120.200 -0.084 0.000 2.077 383 E HA -0.262 4.087 4.350 -0.002 0.000 0.193 383 E C 2.224 178.796 176.600 -0.047 0.000 0.989 383 E CA 1.986 58.340 56.400 -0.077 0.000 0.800 383 E CB -0.452 29.143 29.700 -0.175 0.000 0.746 383 E HN 0.591 nan 8.360 nan 0.000 0.452 384 K N -0.755 119.597 120.400 -0.079 0.000 2.097 384 K HA -0.102 4.217 4.320 -0.002 0.000 0.206 384 K C 1.695 178.204 176.600 -0.152 0.000 1.049 384 K CA 1.766 57.996 56.287 -0.096 0.000 0.933 384 K CB -0.234 32.211 32.500 -0.092 0.000 0.717 384 K HN 0.144 nan 8.250 nan 0.000 0.442 385 T N -0.277 114.147 114.554 -0.216 0.000 2.978 385 T HA -0.012 4.336 4.350 -0.002 0.000 0.262 385 T C 0.031 174.349 174.700 -0.638 0.000 1.063 385 T CA 0.592 62.362 62.100 -0.549 0.000 1.140 385 T CB 0.037 68.348 68.868 -0.929 0.000 0.886 385 T HN 0.315 nan 8.240 nan 0.000 0.470 386 W N 2.288 123.548 121.300 -0.067 0.000 2.104 386 W HA 0.326 4.979 4.660 -0.011 0.000 0.291 386 W C -3.146 173.343 176.519 -0.051 0.000 0.936 386 W CA -2.834 54.481 57.345 -0.051 0.000 1.856 386 W CB -0.043 29.393 29.460 -0.040 0.000 2.036 386 W HN 0.006 nan 8.180 nan 0.000 0.393 387 P HA -0.070 nan 4.420 nan 0.000 0.257 387 P C 1.116 178.450 177.300 0.057 0.000 1.162 387 P CA 2.035 65.158 63.100 0.039 0.000 0.762 387 P CB 0.256 31.957 31.700 0.003 0.000 0.753 388 G N 2.610 111.428 108.800 0.030 0.000 2.200 388 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.267 388 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.267 388 G C 0.208 175.137 174.900 0.048 0.000 0.993 388 G CA 0.178 45.292 45.100 0.024 0.000 0.701 388 G HN 0.631 nan 8.290 nan 0.000 0.524 389 D N 0.430 120.879 120.400 0.082 0.000 2.352 389 D HA 0.357 4.996 4.640 -0.002 0.000 0.245 389 D C 1.365 177.708 176.300 0.071 0.000 1.224 389 D CA -0.470 53.570 54.000 0.067 0.000 0.879 389 D CB 0.516 41.358 40.800 0.070 0.000 1.057 389 D HN 0.194 nan 8.370 nan 0.000 0.491 390 E N 2.818 123.061 120.200 0.072 0.000 2.435 390 E HA -0.059 4.289 4.350 -0.002 0.000 0.195 390 E C 1.202 177.849 176.600 0.078 0.000 1.029 390 E CA 0.434 56.910 56.400 0.127 0.000 0.865 390 E CB 0.358 30.133 29.700 0.124 0.000 0.833 390 E HN 0.373 nan 8.360 nan 0.000 0.510 391 K N -0.027 120.369 120.400 -0.006 0.000 2.076 391 K HA 0.014 4.333 4.320 -0.002 0.000 0.204 391 K C 2.012 178.516 176.600 -0.161 0.000 1.051 391 K CA 0.327 56.565 56.287 -0.081 0.000 0.949 391 K CB -0.202 32.248 32.500 -0.084 0.000 0.726 391 K HN -0.107 nan 8.250 nan 0.000 0.443 392 V N 0.462 120.267 119.914 -0.181 0.000 2.490 392 V HA -0.226 3.893 4.120 -0.002 0.000 0.250 392 V C 1.766 177.735 176.094 -0.207 0.000 1.061 392 V CA 1.430 63.529 62.300 -0.336 0.000 1.064 392 V CB -0.339 31.158 31.823 -0.544 0.000 0.670 392 V HN 0.536 nan 8.190 nan 0.000 0.461 393 W N 0.633 121.804 121.300 -0.217 0.000 2.409 393 W HA -0.122 4.536 4.660 -0.004 0.000 0.299 393 W C 2.354 178.756 176.519 -0.196 0.000 1.203 393 W CA 1.218 58.478 57.345 -0.142 0.000 1.298 393 W CB -0.084 29.351 29.460 -0.041 0.000 1.127 393 W HN 0.293 nan 8.180 nan 0.000 0.528 394 A N 1.118 123.686 122.820 -0.420 0.000 1.940 394 A HA -0.283 4.035 4.320 -0.002 0.000 0.219 394 A C 1.949 179.042 177.584 -0.819 0.000 1.176 394 A CA 2.261 53.738 52.037 -0.932 0.000 0.631 394 A CB -0.877 17.771 19.000 -0.586 0.000 0.814 394 A HN 0.371 nan 8.150 nan 0.000 0.446 395 K N -0.644 119.441 120.400 -0.526 0.000 2.103 395 K HA 0.101 4.420 4.320 -0.002 0.000 0.204 395 K C 1.619 177.975 176.600 -0.406 0.000 1.052 395 K CA 1.041 57.072 56.287 -0.427 0.000 0.945 395 K CB -0.164 32.129 32.500 -0.344 0.000 0.722 395 K HN 0.486 nan 8.250 nan 0.000 0.443 396 L N 0.446 121.420 121.223 -0.414 0.000 2.416 396 L HA 0.250 4.589 4.340 -0.002 0.000 0.216 396 L C 0.781 177.574 176.870 -0.127 0.000 1.098 396 L CA -0.315 54.412 54.840 -0.189 0.000 0.840 396 L CB -0.170 41.864 42.059 -0.041 0.000 0.981 396 L HN 0.077 nan 8.230 nan 0.000 0.462 397 A N 0.360 122.706 122.820 -0.789 0.000 2.561 397 A HA 0.091 4.410 4.320 -0.002 0.000 0.234 397 A C 1.306 178.777 177.584 -0.189 0.000 1.055 397 A CA 0.081 51.542 52.037 -0.959 0.000 0.756 397 A CB 0.462 18.591 19.000 -1.451 0.000 0.986 397 A HN 0.012 nan 8.150 nan 0.000 0.505 398 V N 2.481 122.444 119.914 0.081 0.000 2.488 398 V HA -0.049 4.070 4.120 -0.002 0.000 0.246 398 V C 0.644 176.884 176.094 0.243 0.000 1.046 398 V CA 1.371 63.780 62.300 0.182 0.000 1.053 398 V CB -0.098 31.846 31.823 0.202 0.000 0.679 398 V HN 0.578 nan 8.190 nan 0.000 0.458 399 V N 1.104 121.162 119.914 0.241 0.000 2.487 399 V HA 0.587 4.705 4.120 -0.002 0.000 0.298 399 V C -0.695 175.565 176.094 0.276 0.000 1.028 399 V CA -0.542 61.915 62.300 0.262 0.000 0.860 399 V CB 1.562 33.514 31.823 0.215 0.000 0.991 399 V HN 0.469 nan 8.190 nan 0.000 0.427 400 H N 3.607 122.788 119.070 0.185 0.000 3.121 400 H HA 0.209 4.765 4.556 0.000 0.000 0.337 400 H C -0.552 174.871 175.328 0.158 0.000 1.198 400 H CA -0.267 55.850 56.048 0.117 0.000 1.274 400 H CB 2.063 31.785 29.762 -0.066 0.000 1.954 400 H HN 0.700 nan 8.280 nan 0.000 0.531 401 D N 3.477 123.764 120.400 -0.189 0.000 2.751 401 D HA -0.180 4.459 4.640 -0.002 0.000 0.233 401 D C 0.160 176.495 176.300 0.058 0.000 1.149 401 D CA 1.661 55.665 54.000 0.006 0.000 0.682 401 D CB -0.508 40.419 40.800 0.211 0.000 1.068 401 D HN 0.727 nan 8.370 nan 0.000 0.429 402 K N -2.257 118.164 120.400 0.036 0.000 3.446 402 K HA -0.230 4.089 4.320 -0.002 0.000 0.312 402 K C 0.074 176.714 176.600 0.066 0.000 1.329 402 K CA 1.157 57.473 56.287 0.050 0.000 0.935 402 K CB -1.476 31.047 32.500 0.039 0.000 1.281 402 K HN 0.597 nan 8.250 nan 0.000 0.457 403 Q N 0.129 119.975 119.800 0.077 0.000 2.413 403 Q HA 0.519 4.858 4.340 -0.002 0.000 0.276 403 Q C -0.433 175.578 176.000 0.019 0.000 1.099 403 Q CA -0.912 54.900 55.803 0.014 0.000 0.814 403 Q CB 2.807 31.480 28.738 -0.108 0.000 1.379 403 Q HN -0.044 nan 8.270 nan 0.000 0.436 404 V N 1.898 121.823 119.914 0.019 0.000 2.439 404 V HA 0.186 4.305 4.120 -0.002 0.000 0.282 404 V C -0.275 175.766 176.094 -0.089 0.000 1.039 404 V CA -0.557 61.781 62.300 0.063 0.000 0.913 404 V CB 0.932 32.845 31.823 0.151 0.000 0.983 404 V HN 0.636 nan 8.190 nan 0.000 0.460 405 H N 6.243 125.375 119.070 0.103 0.000 2.741 405 H HA 0.268 4.824 4.556 -0.001 0.000 0.282 405 H C 0.486 175.852 175.328 0.065 0.000 1.122 405 H CA -0.633 55.460 56.048 0.076 0.000 1.293 405 H CB 1.455 31.258 29.762 0.068 0.000 1.415 405 H HN 0.543 nan 8.280 nan 0.000 0.472 406 M N 1.591 121.256 119.600 0.109 0.000 2.099 406 M HA -0.088 4.391 4.480 -0.002 0.000 0.262 406 M C 2.480 178.750 176.300 -0.049 0.000 1.067 406 M CA 1.006 56.343 55.300 0.062 0.000 1.124 406 M CB -1.044 31.625 32.600 0.115 0.000 1.353 406 M HN 0.632 nan 8.290 nan 0.000 0.410 407 A N 1.184 123.998 122.820 -0.009 0.000 1.892 407 A HA -0.237 4.082 4.320 -0.002 0.000 0.218 407 A C 2.036 179.525 177.584 -0.157 0.000 1.188 407 A CA 2.264 54.260 52.037 -0.068 0.000 0.631 407 A CB -0.978 18.201 19.000 0.298 0.000 0.822 407 A HN 0.503 nan 8.150 nan 0.000 0.447 408 N N -0.298 118.418 118.700 0.028 0.000 2.120 408 N HA -0.132 4.607 4.740 -0.002 0.000 0.188 408 N C 1.518 176.898 175.510 -0.217 0.000 1.024 408 N CA 1.416 54.437 53.050 -0.048 0.000 0.852 408 N CB -0.613 37.984 38.487 0.184 0.000 1.003 408 N HN 0.418 nan 8.380 nan 0.000 0.424 409 L N 0.718 121.871 121.223 -0.117 0.000 2.083 409 L HA -0.077 4.262 4.340 -0.002 0.000 0.209 409 L C 1.807 178.517 176.870 -0.266 0.000 1.083 409 L CA 1.449 56.211 54.840 -0.130 0.000 0.752 409 L CB -0.981 41.057 42.059 -0.034 0.000 0.899 409 L HN 0.166 nan 8.230 nan 0.000 0.433 410 C N -1.839 117.221 119.300 -0.400 0.000 2.450 410 C HA -0.052 4.407 4.460 -0.002 0.000 0.279 410 C C 2.924 177.624 174.990 -0.483 0.000 1.335 410 C CA 0.834 59.535 59.018 -0.528 0.000 1.749 410 C CB -0.885 26.239 27.740 -1.027 0.000 1.963 410 C HN 0.581 nan 8.230 nan 0.000 0.501 411 V N 0.403 119.976 119.914 -0.567 0.000 2.488 411 V HA -0.056 4.063 4.120 -0.002 0.000 0.246 411 V C 2.116 177.839 176.094 -0.619 0.000 1.046 411 V CA 2.155 64.085 62.300 -0.617 0.000 1.053 411 V CB -0.337 30.977 31.823 -0.848 0.000 0.679 411 V HN 0.372 nan 8.190 nan 0.000 0.458 412 V N 1.292 120.872 119.914 -0.556 0.000 2.548 412 V HA 0.046 4.164 4.120 -0.002 0.000 0.249 412 V C 2.636 178.623 176.094 -0.178 0.000 1.055 412 V CA 1.875 63.921 62.300 -0.423 0.000 1.065 412 V CB -0.929 30.643 31.823 -0.418 0.000 0.681 412 V HN 0.651 nan 8.190 nan 0.000 0.462 413 G N -0.841 107.846 108.800 -0.189 0.000 2.939 413 G HA2 0.385 4.344 3.960 -0.002 0.000 0.210 413 G HA3 0.385 4.344 3.960 -0.002 0.000 0.210 413 G C 0.603 175.303 174.900 -0.335 0.000 1.160 413 G CA 0.691 45.651 45.100 -0.234 0.000 0.770 413 G HN 0.623 nan 8.290 nan 0.000 0.543 414 G N -0.439 108.199 108.800 -0.269 0.000 3.175 414 G HA2 0.471 4.430 3.960 -0.002 0.000 0.255 414 G HA3 0.471 4.430 3.960 -0.002 0.000 0.255 414 G C 0.085 174.888 174.900 -0.163 0.000 1.352 414 G CA -0.537 44.481 45.100 -0.138 0.000 1.037 414 G HN 0.292 nan 8.290 nan 0.000 0.556 415 F N -1.487 118.374 119.950 -0.148 0.000 2.682 415 F HA 0.777 5.303 4.527 -0.002 0.000 0.308 415 F C 0.256 175.994 175.800 -0.104 0.000 1.093 415 F CA -0.691 57.218 58.000 -0.152 0.000 1.244 415 F CB 0.312 39.257 39.000 -0.093 0.000 1.052 415 F HN 0.578 nan 8.300 nan 0.000 0.573 416 A N 0.398 122.832 122.820 -0.643 0.000 2.555 416 A HA 0.690 5.009 4.320 -0.002 0.000 0.297 416 A C -1.836 175.526 177.584 -0.370 0.000 1.060 416 A CA -0.637 51.125 52.037 -0.458 0.000 0.710 416 A CB 1.163 19.787 19.000 -0.626 0.000 1.282 416 A HN 0.091 nan 8.150 nan 0.000 0.399 417 V N 4.055 123.786 119.914 -0.305 0.000 2.577 417 V HA 0.585 4.703 4.120 -0.002 0.000 0.303 417 V C -0.710 175.326 176.094 -0.097 0.000 1.042 417 V CA -0.750 61.389 62.300 -0.269 0.000 0.872 417 V CB 1.900 33.482 31.823 -0.401 0.000 0.998 417 V HN 1.025 nan 8.190 nan 0.000 0.423 418 N N 3.055 121.687 118.700 -0.113 0.000 2.265 418 N HA 0.644 5.383 4.740 -0.002 0.000 0.300 418 N C -0.252 175.230 175.510 -0.047 0.000 1.148 418 N CA -0.342 52.689 53.050 -0.032 0.000 0.772 418 N CB 2.892 41.324 38.487 -0.092 0.000 1.434 418 N HN 0.649 nan 8.380 nan 0.000 0.481 419 G N -0.875 107.939 108.800 0.023 0.000 2.557 419 G HA2 0.444 4.402 3.960 -0.002 0.000 0.302 419 G HA3 0.444 4.402 3.960 -0.002 0.000 0.302 419 G C 0.586 175.609 174.900 0.206 0.000 1.311 419 G CA -0.469 44.727 45.100 0.159 0.000 1.030 419 G HN 0.669 nan 8.290 nan 0.000 0.509 420 V N -3.920 116.205 119.914 0.353 0.000 3.276 420 V HA 0.713 4.832 4.120 -0.002 0.000 0.319 420 V C 0.420 176.586 176.094 0.121 0.000 1.427 420 V CA 0.266 62.640 62.300 0.123 0.000 1.102 420 V CB -0.635 31.206 31.823 0.030 0.000 1.020 420 V HN 1.406 nan 8.190 nan 0.000 0.456 421 A N -0.655 122.261 122.820 0.160 0.000 2.594 421 A HA 0.855 5.174 4.320 -0.002 0.000 0.296 421 A C 0.845 178.491 177.584 0.102 0.000 1.056 421 A CA 0.026 52.137 52.037 0.122 0.000 0.693 421 A CB 0.927 19.994 19.000 0.111 0.000 1.278 421 A HN 1.037 nan 8.150 nan 0.000 0.408 422 A N 0.833 123.693 122.820 0.066 0.000 1.881 422 A HA -0.187 4.132 4.320 -0.002 0.000 0.219 422 A C 1.989 179.589 177.584 0.026 0.000 1.215 422 A CA 2.184 54.241 52.037 0.034 0.000 0.648 422 A CB -0.986 18.029 19.000 0.024 0.000 0.832 422 A HN 1.601 nan 8.150 nan 0.000 0.455 423 L N -1.505 119.741 121.223 0.039 0.000 2.046 423 L HA -0.219 4.119 4.340 -0.002 0.000 0.208 423 L C 2.688 179.578 176.870 0.032 0.000 1.077 423 L CA 2.357 57.210 54.840 0.023 0.000 0.747 423 L CB -0.559 41.515 42.059 0.024 0.000 0.896 423 L HN 0.757 nan 8.230 nan 0.000 0.432 424 H N -0.707 118.351 119.070 -0.021 0.000 2.293 424 H HA -0.154 4.402 4.556 -0.000 0.000 0.300 424 H C 2.083 177.395 175.328 -0.027 0.000 1.082 424 H CA 1.777 57.808 56.048 -0.028 0.000 1.308 424 H CB 0.210 29.961 29.762 -0.018 0.000 1.375 424 H HN 0.345 nan 8.280 nan 0.000 0.495 425 S N 0.045 115.669 115.700 -0.127 0.000 2.500 425 S HA -0.127 4.341 4.470 -0.002 0.000 0.239 425 S C 1.561 176.066 174.600 -0.159 0.000 0.989 425 S CA 1.302 59.397 58.200 -0.175 0.000 0.951 425 S CB -0.224 62.959 63.200 -0.029 0.000 0.759 425 S HN 0.601 nan 8.310 nan 0.000 0.523 426 D N 1.270 121.592 120.400 -0.130 0.000 2.162 426 D HA 0.038 4.676 4.640 -0.002 0.000 0.205 426 D C 1.787 177.992 176.300 -0.158 0.000 0.964 426 D CA 0.593 54.517 54.000 -0.127 0.000 0.847 426 D CB -0.131 40.620 40.800 -0.081 0.000 0.988 426 D HN 0.257 nan 8.370 nan 0.000 0.480 427 L N 0.135 121.261 121.223 -0.162 0.000 2.131 427 L HA -0.113 4.226 4.340 -0.002 0.000 0.210 427 L C 2.410 179.142 176.870 -0.230 0.000 1.092 427 L CA 0.421 55.158 54.840 -0.173 0.000 0.759 427 L CB -0.290 41.688 42.059 -0.135 0.000 0.903 427 L HN 0.103 nan 8.230 nan 0.000 0.435 428 V N -0.912 118.822 119.914 -0.300 0.000 2.343 428 V HA -0.232 3.886 4.120 -0.002 0.000 0.247 428 V C 2.293 178.309 176.094 -0.131 0.000 1.051 428 V CA 1.417 63.580 62.300 -0.229 0.000 1.036 428 V CB -0.068 31.659 31.823 -0.161 0.000 0.654 428 V HN 0.208 nan 8.190 nan 0.000 0.451 429 V N -0.945 118.849 119.914 -0.200 0.000 2.649 429 V HA -0.092 4.027 4.120 -0.002 0.000 0.248 429 V C 2.277 178.226 176.094 -0.242 0.000 1.054 429 V CA 1.598 63.696 62.300 -0.337 0.000 1.073 429 V CB -0.207 31.273 31.823 -0.573 0.000 0.699 429 V HN 0.495 nan 8.190 nan 0.000 0.463 430 K N -0.734 119.552 120.400 -0.189 0.000 2.211 430 K HA -0.012 4.307 4.320 -0.002 0.000 0.201 430 K C 1.278 177.807 176.600 -0.118 0.000 1.052 430 K CA 1.176 57.383 56.287 -0.134 0.000 0.973 430 K CB 0.133 32.565 32.500 -0.114 0.000 0.766 430 K HN 0.354 nan 8.250 nan 0.000 0.466 431 D N -0.654 119.660 120.400 -0.143 0.000 2.455 431 D HA 0.008 4.647 4.640 -0.002 0.000 0.228 431 D C 1.189 177.376 176.300 -0.189 0.000 1.070 431 D CA 0.200 54.114 54.000 -0.143 0.000 0.881 431 D CB 0.493 41.208 40.800 -0.142 0.000 1.087 431 D HN -0.044 nan 8.370 nan 0.000 0.498 432 L N -1.126 119.937 121.223 -0.267 0.000 2.347 432 L HA 0.303 4.641 4.340 -0.002 0.000 0.196 432 L C -0.080 176.492 176.870 -0.496 0.000 1.072 432 L CA 1.218 55.759 54.840 -0.498 0.000 0.817 432 L CB 0.185 41.803 42.059 -0.736 0.000 1.029 432 L HN -0.191 nan 8.230 nan 0.000 0.478 433 F N 0.026 120.017 119.950 0.068 0.000 2.749 433 F HA 0.431 4.957 4.527 -0.003 0.000 0.380 433 F C -1.777 174.034 175.800 0.018 0.000 1.365 433 F CA -2.383 55.716 58.000 0.165 0.000 1.186 433 F CB -0.488 38.808 39.000 0.494 0.000 1.080 433 F HN -0.009 nan 8.300 nan 0.000 0.513 434 P HA -0.186 nan 4.420 nan 0.000 0.215 434 P C 1.222 178.561 177.300 0.065 0.000 1.157 434 P CA 1.796 64.909 63.100 0.021 0.000 0.874 434 P CB 0.399 32.080 31.700 -0.030 0.000 0.790 435 E N -1.315 118.873 120.200 -0.019 0.000 2.047 435 E HA -0.185 4.163 4.350 -0.002 0.000 0.191 435 E C 2.124 178.798 176.600 0.123 0.000 0.987 435 E CA 1.148 57.528 56.400 -0.034 0.000 0.799 435 E CB -1.141 28.338 29.700 -0.368 0.000 0.752 435 E HN 0.300 nan 8.360 nan 0.000 0.449 436 Y N 0.270 120.736 120.300 0.277 0.000 2.256 436 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 436 Y C 2.415 178.571 175.900 0.426 0.000 1.155 436 Y CA 1.498 59.835 58.100 0.395 0.000 1.203 436 Y CB -0.619 38.239 38.460 0.664 0.000 0.980 436 Y HN 0.330 nan 8.280 nan 0.000 0.530 437 H N 0.091 119.313 119.070 0.252 0.000 2.395 437 H HA -0.135 4.417 4.556 -0.006 0.000 0.299 437 H C 1.787 177.183 175.328 0.114 0.000 1.070 437 H CA 1.477 57.508 56.048 -0.028 0.000 1.356 437 H CB 0.203 29.637 29.762 -0.547 0.000 1.401 437 H HN 0.430 nan 8.280 nan 0.000 0.524 438 Q N 0.381 120.200 119.800 0.031 0.000 2.045 438 Q HA -0.167 4.172 4.340 -0.002 0.000 0.206 438 Q C 2.749 178.714 176.000 -0.058 0.000 0.991 438 Q CA 1.814 57.607 55.803 -0.017 0.000 0.851 438 Q CB 0.048 28.878 28.738 0.153 0.000 0.911 438 Q HN 0.470 nan 8.270 nan 0.000 0.418 439 L N -1.201 119.996 121.223 -0.044 0.000 2.093 439 L HA -0.126 4.213 4.340 -0.002 0.000 0.208 439 L C 0.761 177.474 176.870 -0.261 0.000 1.085 439 L CA 0.623 55.272 54.840 -0.320 0.000 0.755 439 L CB -0.044 41.541 42.059 -0.790 0.000 0.904 439 L HN 0.361 nan 8.230 nan 0.000 0.435 440 W N -0.113 121.351 121.300 0.273 0.000 1.890 440 W HA 0.285 4.946 4.660 0.001 0.000 0.293 440 W C -1.854 174.840 176.519 0.293 0.000 0.895 440 W CA -1.813 55.692 57.345 0.267 0.000 1.968 440 W CB -0.356 29.293 29.460 0.314 0.000 2.198 440 W HN -0.030 nan 8.180 nan 0.000 0.401 441 P HA -0.229 nan 4.420 nan 0.000 0.215 441 P C 1.007 178.500 177.300 0.321 0.000 1.157 441 P CA 1.741 64.809 63.100 -0.053 0.000 0.874 441 P CB 0.315 31.860 31.700 -0.259 0.000 0.790 442 N N 0.162 119.002 118.700 0.232 0.000 2.609 442 N HA -0.113 4.626 4.740 -0.002 0.000 0.190 442 N C 1.582 177.168 175.510 0.126 0.000 1.157 442 N CA 0.697 53.845 53.050 0.164 0.000 0.918 442 N CB -0.625 37.950 38.487 0.147 0.000 0.978 442 N HN 0.462 nan 8.380 nan 0.000 0.448 443 K N -0.219 120.316 120.400 0.225 0.000 2.379 443 K HA 0.073 4.392 4.320 -0.002 0.000 0.194 443 K C -0.469 176.011 176.600 -0.200 0.000 1.031 443 K CA 0.029 56.334 56.287 0.030 0.000 1.037 443 K CB 0.197 32.657 32.500 -0.066 0.000 0.824 443 K HN -0.142 nan 8.250 nan 0.000 0.516 444 F N 1.889 121.794 119.950 -0.076 0.000 2.408 444 F HA 0.368 4.898 4.527 0.006 0.000 0.344 444 F C 0.567 176.112 175.800 -0.426 0.000 1.112 444 F CA -0.481 57.461 58.000 -0.097 0.000 1.096 444 F CB 0.945 39.979 39.000 0.057 0.000 1.129 444 F HN 0.012 nan 8.300 nan 0.000 0.486 445 H N 0.798 119.932 119.070 0.107 0.000 2.941 445 H HA 0.317 4.873 4.556 -0.000 0.000 0.344 445 H C -1.188 174.121 175.328 -0.031 0.000 1.235 445 H CA -1.150 54.904 56.048 0.009 0.000 1.149 445 H CB 2.358 32.074 29.762 -0.077 0.000 1.885 445 H HN 0.484 nan 8.280 nan 0.000 0.558 446 N N 0.753 119.499 118.700 0.077 0.000 2.321 446 N HA 0.364 5.103 4.740 -0.002 0.000 0.299 446 N C -1.671 173.764 175.510 -0.124 0.000 1.048 446 N CA -0.364 52.679 53.050 -0.011 0.000 0.836 446 N CB 2.108 40.590 38.487 -0.008 0.000 1.269 446 N HN 0.198 nan 8.380 nan 0.000 0.486 447 V N 2.332 122.135 119.914 -0.185 0.000 2.532 447 V HA 0.200 4.319 4.120 -0.002 0.000 0.294 447 V C 0.020 176.056 176.094 -0.097 0.000 1.036 447 V CA -0.703 61.413 62.300 -0.306 0.000 0.876 447 V CB 1.515 32.836 31.823 -0.836 0.000 1.012 447 V HN 0.671 nan 8.190 nan 0.000 0.432 448 T N 4.615 119.155 114.554 -0.023 0.000 2.930 448 T HA 0.149 4.498 4.350 -0.002 0.000 0.306 448 T C 0.623 175.435 174.700 0.187 0.000 1.045 448 T CA 0.047 62.200 62.100 0.088 0.000 1.134 448 T CB 0.246 69.166 68.868 0.088 0.000 0.961 448 T HN 0.631 nan 8.240 nan 0.000 0.545 449 N N 0.675 119.519 118.700 0.241 0.000 2.235 449 N HA 0.499 5.238 4.740 -0.002 0.000 0.231 449 N C 0.494 176.206 175.510 0.337 0.000 1.330 449 N CA 0.188 53.428 53.050 0.316 0.000 0.898 449 N CB 0.335 38.938 38.487 0.193 0.000 1.151 449 N HN 0.885 nan 8.380 nan 0.000 0.472 450 G N -1.521 107.484 108.800 0.342 0.000 2.559 450 G HA2 0.548 4.507 3.960 -0.002 0.000 0.291 450 G HA3 0.548 4.507 3.960 -0.002 0.000 0.291 450 G C -1.552 173.494 174.900 0.244 0.000 1.424 450 G CA -0.593 44.697 45.100 0.317 0.000 0.786 450 G HN 0.563 nan 8.290 nan 0.000 0.485 451 I N -2.659 118.044 120.570 0.222 0.000 3.074 451 I HA 0.839 5.008 4.170 -0.002 0.000 0.310 451 I C -0.221 176.071 176.117 0.292 0.000 1.153 451 I CA -1.074 60.351 61.300 0.208 0.000 0.993 451 I CB 2.057 40.081 38.000 0.041 0.000 1.237 451 I HN 0.537 nan 8.210 nan 0.000 0.443 452 T N 2.906 117.703 114.554 0.405 0.000 2.806 452 T HA 0.530 4.878 4.350 -0.002 0.000 0.290 452 T C -1.862 172.991 174.700 0.254 0.000 0.966 452 T CA -1.709 60.551 62.100 0.267 0.000 1.060 452 T CB 1.022 69.990 68.868 0.168 0.000 0.927 452 T HN 0.612 nan 8.240 nan 0.000 0.485 453 P HA 0.066 nan 4.420 nan 0.000 0.225 453 P C 1.227 178.555 177.300 0.047 0.000 1.156 453 P CA 0.413 63.609 63.100 0.159 0.000 0.787 453 P CB 0.300 32.072 31.700 0.120 0.000 0.802 454 R N 0.084 120.530 120.500 -0.090 0.000 2.092 454 R HA -0.033 4.306 4.340 -0.002 0.000 0.226 454 R C 2.565 178.788 176.300 -0.130 0.000 1.140 454 R CA 1.620 57.627 56.100 -0.156 0.000 0.910 454 R CB -1.288 28.917 30.300 -0.159 0.000 0.822 454 R HN 0.035 nan 8.270 nan 0.000 0.433 455 R N -0.696 119.669 120.500 -0.226 0.000 2.081 455 R HA -0.132 4.207 4.340 -0.002 0.000 0.235 455 R C 1.551 177.571 176.300 -0.467 0.000 1.131 455 R CA 1.728 57.557 56.100 -0.453 0.000 0.960 455 R CB -0.210 29.623 30.300 -0.778 0.000 0.856 455 R HN 0.323 nan 8.270 nan 0.000 0.436 456 W N -0.634 120.682 121.300 0.025 0.000 3.180 456 W HA 0.212 4.871 4.660 -0.001 0.000 0.254 456 W C 1.250 177.803 176.519 0.056 0.000 1.318 456 W CA -0.271 57.096 57.345 0.038 0.000 1.608 456 W CB 0.359 29.844 29.460 0.043 0.000 1.124 456 W HN 0.124 nan 8.180 nan 0.000 0.694 457 I N -1.997 118.705 120.570 0.219 0.000 3.680 457 I HA -0.045 4.124 4.170 -0.002 0.000 0.261 457 I C 2.123 178.344 176.117 0.173 0.000 1.121 457 I CA -0.108 61.314 61.300 0.203 0.000 1.429 457 I CB -0.205 37.964 38.000 0.282 0.000 1.719 457 I HN -0.423 nan 8.210 nan 0.000 0.413 458 K N 1.116 121.647 120.400 0.219 0.000 2.113 458 K HA -0.272 4.047 4.320 -0.002 0.000 0.208 458 K C 2.059 178.666 176.600 0.011 0.000 1.047 458 K CA 2.099 58.481 56.287 0.159 0.000 0.928 458 K CB 0.066 32.600 32.500 0.058 0.000 0.716 458 K HN 0.277 nan 8.250 nan 0.000 0.446 459 Q N -0.214 119.553 119.800 -0.055 0.000 2.107 459 Q HA -0.112 4.227 4.340 -0.002 0.000 0.195 459 Q C 2.336 178.271 176.000 -0.108 0.000 0.964 459 Q CA 1.474 57.205 55.803 -0.121 0.000 0.833 459 Q CB 0.096 28.735 28.738 -0.166 0.000 0.910 459 Q HN 0.607 nan 8.270 nan 0.000 0.465 460 C N -0.101 119.146 119.300 -0.088 0.000 2.514 460 C HA 0.271 4.730 4.460 -0.002 0.000 0.271 460 C C 1.053 176.030 174.990 -0.021 0.000 1.399 460 C CA -0.204 58.780 59.018 -0.056 0.000 1.765 460 C CB -0.629 27.099 27.740 -0.020 0.000 1.893 460 C HN 0.355 nan 8.230 nan 0.000 0.531 461 N N 1.219 119.914 118.700 -0.008 0.000 2.765 461 N HA 0.306 5.045 4.740 -0.002 0.000 0.277 461 N C -1.871 173.621 175.510 -0.031 0.000 1.750 461 N CA -1.761 51.277 53.050 -0.021 0.000 0.827 461 N CB 0.690 39.169 38.487 -0.014 0.000 1.200 461 N HN 0.216 nan 8.380 nan 0.000 0.494 462 P HA -0.055 nan 4.420 nan 0.000 0.218 462 P C 1.088 178.364 177.300 -0.040 0.000 1.149 462 P CA 0.814 63.892 63.100 -0.037 0.000 0.817 462 P CB 0.354 32.011 31.700 -0.072 0.000 0.785 463 A N 0.074 122.856 122.820 -0.062 0.000 1.902 463 A HA -0.163 4.155 4.320 -0.002 0.000 0.217 463 A C 2.196 179.705 177.584 -0.124 0.000 1.181 463 A CA 1.528 53.514 52.037 -0.085 0.000 0.623 463 A CB -1.672 17.271 19.000 -0.094 0.000 0.818 463 A HN 0.175 nan 8.150 nan 0.000 0.443 464 L N -0.143 120.991 121.223 -0.148 0.000 2.042 464 L HA -0.101 4.237 4.340 -0.002 0.000 0.210 464 L C 2.623 179.380 176.870 -0.188 0.000 1.076 464 L CA 2.277 56.994 54.840 -0.205 0.000 0.749 464 L CB -0.798 41.134 42.059 -0.212 0.000 0.893 464 L HN 0.346 nan 8.230 nan 0.000 0.432 465 A N -0.594 122.168 122.820 -0.096 0.000 1.898 465 A HA -0.046 4.273 4.320 -0.002 0.000 0.216 465 A C 2.460 180.080 177.584 0.060 0.000 1.181 465 A CA 1.705 53.740 52.037 -0.003 0.000 0.620 465 A CB -1.171 17.989 19.000 0.266 0.000 0.819 465 A HN 0.571 nan 8.150 nan 0.000 0.442 466 A N -0.334 122.505 122.820 0.033 0.000 1.908 466 A HA -0.088 4.231 4.320 -0.002 0.000 0.218 466 A C 2.099 179.669 177.584 -0.024 0.000 1.181 466 A CA 1.767 53.823 52.037 0.031 0.000 0.627 466 A CB -0.692 18.309 19.000 0.002 0.000 0.818 466 A HN 0.775 nan 8.150 nan 0.000 0.445 467 L N -0.355 120.812 121.223 -0.093 0.000 2.129 467 L HA -0.138 4.201 4.340 -0.002 0.000 0.212 467 L C 2.061 178.851 176.870 -0.133 0.000 1.087 467 L CA 1.719 56.480 54.840 -0.132 0.000 0.757 467 L CB -0.380 41.551 42.059 -0.213 0.000 0.896 467 L HN 0.421 nan 8.230 nan 0.000 0.434 468 L N -1.553 119.547 121.223 -0.205 0.000 2.249 468 L HA -0.029 4.309 4.340 -0.002 0.000 0.207 468 L C 2.054 178.844 176.870 -0.133 0.000 1.090 468 L CA 0.402 55.036 54.840 -0.342 0.000 0.802 468 L CB -0.679 40.812 42.059 -0.947 0.000 0.947 468 L HN 0.142 nan 8.230 nan 0.000 0.453 469 D N 0.630 121.082 120.400 0.087 0.000 2.144 469 D HA -0.196 4.443 4.640 -0.002 0.000 0.199 469 D C 2.080 178.440 176.300 0.100 0.000 0.984 469 D CA 1.207 55.342 54.000 0.225 0.000 0.834 469 D CB 0.105 41.039 40.800 0.223 0.000 0.955 469 D HN 0.221 nan 8.370 nan 0.000 0.465 470 K N 0.460 120.882 120.400 0.036 0.000 2.031 470 K HA -0.040 4.279 4.320 -0.002 0.000 0.205 470 K C 2.034 178.642 176.600 0.014 0.000 1.049 470 K CA 1.180 57.484 56.287 0.028 0.000 0.939 470 K CB 0.158 32.663 32.500 0.009 0.000 0.717 470 K HN -0.087 nan 8.250 nan 0.000 0.438 471 S N 0.529 116.187 115.700 -0.070 0.000 2.428 471 S HA 0.046 4.515 4.470 -0.002 0.000 0.230 471 S C 0.613 175.173 174.600 -0.066 0.000 1.014 471 S CA 0.495 58.576 58.200 -0.199 0.000 0.957 471 S CB -0.023 62.835 63.200 -0.571 0.000 0.784 471 S HN 0.165 nan 8.310 nan 0.000 0.499 472 L N 1.297 122.517 121.223 -0.005 0.000 2.334 472 L HA 0.362 4.701 4.340 -0.002 0.000 0.276 472 L C 1.363 178.299 176.870 0.111 0.000 1.014 472 L CA -0.503 54.377 54.840 0.066 0.000 0.815 472 L CB 1.489 43.591 42.059 0.072 0.000 1.268 472 L HN 0.003 nan 8.230 nan 0.000 0.428 473 Q N 1.859 121.725 119.800 0.109 0.000 2.079 473 Q HA -0.044 4.295 4.340 -0.002 0.000 0.200 473 Q C 0.026 176.088 176.000 0.102 0.000 0.974 473 Q CA 1.387 57.248 55.803 0.097 0.000 0.840 473 Q CB 0.424 29.209 28.738 0.079 0.000 0.898 473 Q HN 0.530 nan 8.270 nan 0.000 0.430 474 K N 0.698 121.168 120.400 0.117 0.000 2.185 474 K HA 0.177 4.495 4.320 -0.002 0.000 0.240 474 K C -0.786 175.908 176.600 0.156 0.000 0.983 474 K CA -0.681 55.672 56.287 0.111 0.000 0.873 474 K CB 1.309 33.860 32.500 0.085 0.000 1.118 474 K HN -0.086 nan 8.250 nan 0.000 0.441 475 E N 1.976 122.229 120.200 0.088 0.000 2.417 475 E HA -0.101 4.248 4.350 -0.002 0.000 0.261 475 E C 0.086 176.686 176.600 0.001 0.000 1.000 475 E CA 0.209 56.610 56.400 0.000 0.000 0.919 475 E CB 0.280 29.950 29.700 -0.050 0.000 0.955 475 E HN 0.595 nan 8.360 nan 0.000 0.455 476 W N 3.940 125.243 121.300 0.005 0.000 3.013 476 W HA 0.329 4.988 4.660 -0.003 0.000 0.280 476 W C 0.971 177.457 176.519 -0.055 0.000 1.249 476 W CA 0.333 57.671 57.345 -0.012 0.000 1.577 476 W CB -0.847 28.611 29.460 -0.004 0.000 1.057 476 W HN 0.595 nan 8.180 nan 0.000 0.613 477 A N 2.931 125.036 122.820 -1.193 0.000 2.019 477 A HA -0.247 4.072 4.320 -0.002 0.000 0.219 477 A C 1.401 178.554 177.584 -0.719 0.000 1.164 477 A CA 1.946 53.241 52.037 -1.236 0.000 0.644 477 A CB -0.958 17.146 19.000 -1.492 0.000 0.805 477 A HN 0.407 nan 8.150 nan 0.000 0.449 478 N N -1.632 116.794 118.700 -0.455 0.000 2.451 478 N HA 0.190 4.928 4.740 -0.002 0.000 0.271 478 N C -0.998 174.451 175.510 -0.102 0.000 1.410 478 N CA 0.076 52.976 53.050 -0.250 0.000 0.884 478 N CB 0.442 38.835 38.487 -0.156 0.000 1.332 478 N HN 0.124 nan 8.380 nan 0.000 0.498 479 D N 0.434 120.795 120.400 -0.065 0.000 3.449 479 D HA 0.067 4.706 4.640 -0.002 0.000 0.262 479 D C 0.276 176.623 176.300 0.078 0.000 1.343 479 D CA -0.387 53.619 54.000 0.011 0.000 0.787 479 D CB 0.125 40.937 40.800 0.019 0.000 1.412 479 D HN 0.011 nan 8.370 nan 0.000 0.652 480 L N 0.839 122.113 121.223 0.086 0.000 2.353 480 L HA 0.016 4.354 4.340 -0.002 0.000 0.220 480 L C 1.303 178.247 176.870 0.124 0.000 1.133 480 L CA 1.534 56.469 54.840 0.159 0.000 0.798 480 L CB -0.008 42.137 42.059 0.144 0.000 0.922 480 L HN 0.153 nan 8.230 nan 0.000 0.445 481 D N -0.827 119.617 120.400 0.074 0.000 2.378 481 D HA -0.133 4.506 4.640 -0.002 0.000 0.222 481 D C 1.748 178.087 176.300 0.066 0.000 0.980 481 D CA 0.413 54.442 54.000 0.049 0.000 0.907 481 D CB 0.123 40.935 40.800 0.020 0.000 0.899 481 D HN 0.467 nan 8.370 nan 0.000 0.527 482 Q N -0.057 119.806 119.800 0.106 0.000 2.437 482 Q HA -0.048 4.290 4.340 -0.002 0.000 0.210 482 Q C 1.859 177.914 176.000 0.092 0.000 0.972 482 Q CA 0.191 56.060 55.803 0.111 0.000 0.903 482 Q CB 0.068 28.906 28.738 0.168 0.000 0.967 482 Q HN 0.287 nan 8.270 nan 0.000 0.486 483 L N 0.175 121.450 121.223 0.087 0.000 2.275 483 L HA -0.108 4.230 4.340 -0.002 0.000 0.215 483 L C 2.017 178.902 176.870 0.024 0.000 1.119 483 L CA 0.710 55.571 54.840 0.036 0.000 0.790 483 L CB -0.606 41.477 42.059 0.040 0.000 0.919 483 L HN 0.152 nan 8.230 nan 0.000 0.443 484 I N 0.060 120.647 120.570 0.030 0.000 2.423 484 I HA -0.273 3.896 4.170 -0.002 0.000 0.254 484 I C 1.922 178.049 176.117 0.017 0.000 1.151 484 I CA 1.221 62.530 61.300 0.015 0.000 1.421 484 I CB -0.463 37.542 38.000 0.009 0.000 1.079 484 I HN 0.358 nan 8.210 nan 0.000 0.431 485 N N 0.349 119.069 118.700 0.034 0.000 2.635 485 N HA -0.093 4.646 4.740 -0.002 0.000 0.191 485 N C 1.567 177.137 175.510 0.100 0.000 1.155 485 N CA 0.679 53.762 53.050 0.056 0.000 0.927 485 N CB -0.110 38.422 38.487 0.076 0.000 0.976 485 N HN 0.448 nan 8.380 nan 0.000 0.448 486 L N 0.515 121.768 121.223 0.050 0.000 2.558 486 L HA 0.049 4.388 4.340 -0.002 0.000 0.225 486 L C 1.855 178.742 176.870 0.028 0.000 1.128 486 L CA 0.264 55.133 54.840 0.048 0.000 0.868 486 L CB -0.050 41.967 42.059 -0.071 0.000 1.006 486 L HN 0.099 nan 8.230 nan 0.000 0.454 487 E N 1.162 121.357 120.200 -0.008 0.000 2.114 487 E HA -0.287 4.062 4.350 -0.002 0.000 0.199 487 E C 1.882 178.420 176.600 -0.103 0.000 1.008 487 E CA 1.931 58.298 56.400 -0.055 0.000 0.810 487 E CB 0.032 29.701 29.700 -0.051 0.000 0.739 487 E HN 0.540 nan 8.360 nan 0.000 0.456 488 K N 0.118 120.430 120.400 -0.147 0.000 2.283 488 K HA -0.095 4.223 4.320 -0.002 0.000 0.202 488 K C 1.577 177.941 176.600 -0.393 0.000 1.048 488 K CA 1.177 57.298 56.287 -0.277 0.000 0.948 488 K CB -0.424 31.868 32.500 -0.347 0.000 0.742 488 K HN 0.055 nan 8.250 nan 0.000 0.458 489 F N 1.454 121.157 119.950 -0.410 0.000 2.502 489 F HA 0.077 4.602 4.527 -0.002 0.000 0.298 489 F C 2.372 177.909 175.800 -0.439 0.000 1.111 489 F CA 0.645 58.266 58.000 -0.632 0.000 1.445 489 F CB -0.279 37.761 39.000 -1.600 0.000 1.081 489 F HN 0.116 nan 8.300 nan 0.000 0.558 490 A N -0.379 122.347 122.820 -0.157 0.000 2.067 490 A HA -0.149 4.170 4.320 -0.002 0.000 0.219 490 A C 1.764 179.322 177.584 -0.042 0.000 1.158 490 A CA 1.616 53.613 52.037 -0.067 0.000 0.661 490 A CB -0.504 18.439 19.000 -0.095 0.000 0.801 490 A HN 0.212 nan 8.150 nan 0.000 0.452 491 D N 0.062 120.411 120.400 -0.084 0.000 2.347 491 D HA -0.024 4.614 4.640 -0.002 0.000 0.213 491 D C -0.055 176.223 176.300 -0.035 0.000 0.985 491 D CA 0.445 54.406 54.000 -0.065 0.000 0.879 491 D CB 0.023 40.766 40.800 -0.095 0.000 0.919 491 D HN 0.403 nan 8.370 nan 0.000 0.526 492 D N 0.290 120.684 120.400 -0.009 0.000 2.347 492 D HA 0.250 4.889 4.640 -0.002 0.000 0.235 492 D C 1.083 177.469 176.300 0.143 0.000 1.149 492 D CA -0.420 53.616 54.000 0.060 0.000 0.850 492 D CB 1.443 42.297 40.800 0.090 0.000 1.061 492 D HN -0.100 nan 8.370 nan 0.000 0.487 493 A N 5.457 128.331 122.820 0.091 0.000 1.948 493 A HA -0.217 4.102 4.320 -0.002 0.000 0.220 493 A C 1.995 179.644 177.584 0.108 0.000 1.177 493 A CA 1.552 53.641 52.037 0.087 0.000 0.636 493 A CB -0.430 18.599 19.000 0.049 0.000 0.815 493 A HN 0.662 nan 8.150 nan 0.000 0.449 494 K N -1.493 118.981 120.400 0.123 0.000 2.097 494 K HA -0.145 4.173 4.320 -0.002 0.000 0.205 494 K C 1.866 178.546 176.600 0.134 0.000 1.050 494 K CA 1.584 57.936 56.287 0.109 0.000 0.938 494 K CB -0.364 32.199 32.500 0.105 0.000 0.718 494 K HN 0.404 nan 8.250 nan 0.000 0.442 495 F N 2.307 122.315 119.950 0.096 0.000 2.146 495 F HA -0.068 4.458 4.527 -0.002 0.000 0.298 495 F C 2.200 178.058 175.800 0.098 0.000 1.096 495 F CA 1.312 59.382 58.000 0.116 0.000 1.275 495 F CB -0.052 39.086 39.000 0.230 0.000 1.008 495 F HN -0.056 nan 8.300 nan 0.000 0.480 496 R N -0.080 120.588 120.500 0.281 0.000 2.120 496 R HA -0.199 4.140 4.340 -0.002 0.000 0.234 496 R C 2.334 178.675 176.300 0.069 0.000 1.123 496 R CA 1.563 57.762 56.100 0.165 0.000 0.975 496 R CB -0.656 29.724 30.300 0.133 0.000 0.866 496 R HN 0.481 nan 8.270 nan 0.000 0.446 497 Q N 0.959 120.784 119.800 0.042 0.000 2.046 497 Q HA -0.198 4.141 4.340 -0.002 0.000 0.200 497 Q C 1.993 177.968 176.000 -0.041 0.000 0.975 497 Q CA 1.473 57.281 55.803 0.007 0.000 0.836 497 Q CB 0.144 28.887 28.738 0.008 0.000 0.896 497 Q HN 0.435 nan 8.270 nan 0.000 0.428 498 Q N -0.892 118.845 119.800 -0.105 0.000 2.124 498 Q HA -0.214 4.125 4.340 -0.002 0.000 0.202 498 Q C 1.797 177.677 176.000 -0.201 0.000 0.977 498 Q CA 1.583 57.283 55.803 -0.173 0.000 0.850 498 Q CB -0.192 28.394 28.738 -0.253 0.000 0.901 498 Q HN 0.433 nan 8.270 nan 0.000 0.429 499 Y N 1.255 121.324 120.300 -0.384 0.000 2.133 499 Y HA -0.224 4.325 4.550 -0.002 0.000 0.287 499 Y C 2.508 178.326 175.900 -0.137 0.000 1.134 499 Y CA 1.771 59.688 58.100 -0.304 0.000 1.133 499 Y CB -0.080 38.195 38.460 -0.309 0.000 0.987 499 Y HN -0.084 nan 8.280 nan 0.000 0.502 500 R N 0.403 120.993 120.500 0.149 0.000 2.083 500 R HA -0.226 4.112 4.340 -0.002 0.000 0.237 500 R C 2.170 178.454 176.300 -0.027 0.000 1.137 500 R CA 2.205 58.361 56.100 0.095 0.000 0.951 500 R CB -0.403 29.940 30.300 0.071 0.000 0.851 500 R HN 0.455 nan 8.270 nan 0.000 0.434 501 E N 0.177 120.345 120.200 -0.054 0.000 2.085 501 E HA -0.196 4.153 4.350 -0.002 0.000 0.194 501 E C 2.022 178.558 176.600 -0.106 0.000 0.994 501 E CA 1.603 57.958 56.400 -0.075 0.000 0.801 501 E CB -0.096 29.561 29.700 -0.070 0.000 0.743 501 E HN 0.410 nan 8.360 nan 0.000 0.453 502 I N 0.787 121.266 120.570 -0.152 0.000 2.264 502 I HA -0.300 3.869 4.170 -0.002 0.000 0.248 502 I C 2.366 178.381 176.117 -0.170 0.000 1.111 502 I CA 1.083 62.275 61.300 -0.180 0.000 1.382 502 I CB -0.103 37.738 38.000 -0.265 0.000 1.060 502 I HN 0.016 nan 8.210 nan 0.000 0.418 503 K N 0.635 120.927 120.400 -0.179 0.000 2.057 503 K HA -0.178 4.141 4.320 -0.002 0.000 0.206 503 K C 2.109 178.637 176.600 -0.119 0.000 1.050 503 K CA 1.453 57.659 56.287 -0.135 0.000 0.935 503 K CB -0.149 32.312 32.500 -0.065 0.000 0.715 503 K HN 0.169 nan 8.250 nan 0.000 0.439 504 Q N -0.216 119.517 119.800 -0.113 0.000 2.167 504 Q HA 0.007 4.345 4.340 -0.002 0.000 0.202 504 Q C 2.043 177.981 176.000 -0.103 0.000 0.970 504 Q CA 1.431 57.158 55.803 -0.127 0.000 0.855 504 Q CB -0.204 28.473 28.738 -0.101 0.000 0.911 504 Q HN 0.459 nan 8.270 nan 0.000 0.438 505 A N 1.283 124.053 122.820 -0.083 0.000 1.968 505 A HA -0.144 4.175 4.320 -0.002 0.000 0.217 505 A C 1.780 179.339 177.584 -0.042 0.000 1.169 505 A CA 1.100 53.104 52.037 -0.056 0.000 0.638 505 A CB -0.255 18.712 19.000 -0.056 0.000 0.812 505 A HN 0.273 nan 8.150 nan 0.000 0.446 506 N N 0.247 118.913 118.700 -0.057 0.000 2.188 506 N HA -0.098 4.641 4.740 -0.002 0.000 0.184 506 N C 1.531 177.042 175.510 0.002 0.000 1.018 506 N CA 1.379 54.412 53.050 -0.029 0.000 0.858 506 N CB -0.254 38.209 38.487 -0.042 0.000 0.989 506 N HN 0.572 nan 8.380 nan 0.000 0.426 507 K N 0.193 120.553 120.400 -0.066 0.000 2.103 507 K HA 0.065 4.383 4.320 -0.002 0.000 0.204 507 K C 1.931 178.579 176.600 0.079 0.000 1.052 507 K CA 0.433 56.670 56.287 -0.082 0.000 0.945 507 K CB 0.019 32.184 32.500 -0.559 0.000 0.722 507 K HN -0.076 nan 8.250 nan 0.000 0.443 508 V N 1.747 121.673 119.914 0.019 0.000 2.343 508 V HA -0.235 3.884 4.120 -0.002 0.000 0.247 508 V C 2.156 178.306 176.094 0.094 0.000 1.051 508 V CA 1.659 63.995 62.300 0.060 0.000 1.036 508 V CB -0.424 31.410 31.823 0.019 0.000 0.654 508 V HN 0.278 nan 8.190 nan 0.000 0.451 509 R N -0.497 120.047 120.500 0.075 0.000 2.120 509 R HA -0.132 4.207 4.340 -0.002 0.000 0.234 509 R C 2.205 178.589 176.300 0.139 0.000 1.123 509 R CA 1.419 57.570 56.100 0.085 0.000 0.975 509 R CB -0.465 29.863 30.300 0.045 0.000 0.866 509 R HN 0.433 nan 8.270 nan 0.000 0.446 510 L N 0.705 122.037 121.223 0.182 0.000 2.072 510 L HA 0.014 4.353 4.340 -0.002 0.000 0.205 510 L C 2.319 179.352 176.870 0.271 0.000 1.079 510 L CA 1.677 56.667 54.840 0.252 0.000 0.752 510 L CB -0.510 41.726 42.059 0.295 0.000 0.906 510 L HN 0.072 nan 8.230 nan 0.000 0.436 511 A N -0.089 122.885 122.820 0.257 0.000 1.903 511 A HA -0.310 4.009 4.320 -0.002 0.000 0.219 511 A C 2.118 179.792 177.584 0.151 0.000 1.191 511 A CA 2.268 54.419 52.037 0.189 0.000 0.638 511 A CB -0.852 18.265 19.000 0.196 0.000 0.823 511 A HN 0.665 nan 8.150 nan 0.000 0.451 512 E N -1.611 118.683 120.200 0.156 0.000 2.118 512 E HA -0.187 4.161 4.350 -0.002 0.000 0.195 512 E C 1.754 178.460 176.600 0.176 0.000 0.992 512 E CA 1.341 57.823 56.400 0.137 0.000 0.804 512 E CB -0.301 29.475 29.700 0.127 0.000 0.741 512 E HN 0.704 nan 8.360 nan 0.000 0.458 513 F N 1.070 121.054 119.950 0.057 0.000 2.146 513 F HA -0.171 4.355 4.527 -0.002 0.000 0.298 513 F C 2.077 177.908 175.800 0.051 0.000 1.096 513 F CA 0.949 58.982 58.000 0.055 0.000 1.275 513 F CB -0.287 38.752 39.000 0.065 0.000 1.008 513 F HN -0.203 nan 8.300 nan 0.000 0.480 514 V N 0.707 120.665 119.914 0.074 0.000 2.358 514 V HA -0.302 3.817 4.120 -0.002 0.000 0.246 514 V C 2.427 178.477 176.094 -0.074 0.000 1.047 514 V CA 2.216 64.483 62.300 -0.055 0.000 1.035 514 V CB -0.724 31.107 31.823 0.014 0.000 0.658 514 V HN 0.325 nan 8.190 nan 0.000 0.452 515 K N 0.885 121.280 120.400 -0.009 0.000 2.026 515 K HA -0.182 4.137 4.320 -0.002 0.000 0.208 515 K C 2.046 178.627 176.600 -0.031 0.000 1.048 515 K CA 2.201 58.484 56.287 -0.006 0.000 0.929 515 K CB -0.525 31.990 32.500 0.026 0.000 0.713 515 K HN 0.408 nan 8.250 nan 0.000 0.439 516 V N -0.601 119.288 119.914 -0.042 0.000 2.548 516 V HA -0.054 4.065 4.120 -0.002 0.000 0.249 516 V C 1.869 177.895 176.094 -0.113 0.000 1.055 516 V CA 1.284 63.551 62.300 -0.054 0.000 1.065 516 V CB -0.485 31.329 31.823 -0.015 0.000 0.681 516 V HN 0.263 nan 8.190 nan 0.000 0.462 517 R N 1.061 121.423 120.500 -0.230 0.000 2.240 517 R HA 0.072 4.411 4.340 -0.002 0.000 0.203 517 R C 2.075 178.302 176.300 -0.123 0.000 1.011 517 R CA 1.470 57.428 56.100 -0.236 0.000 1.007 517 R CB -0.247 29.783 30.300 -0.451 0.000 0.911 517 R HN 0.825 nan 8.270 nan 0.000 0.468 518 T N -5.714 108.790 114.554 -0.084 0.000 2.992 518 T HA 0.242 4.590 4.350 -0.002 0.000 0.255 518 T C 1.387 176.083 174.700 -0.006 0.000 0.938 518 T CA 0.677 62.764 62.100 -0.023 0.000 0.895 518 T CB 1.038 69.907 68.868 0.002 0.000 1.221 518 T HN 0.256 nan 8.240 nan 0.000 0.512 519 G N 2.120 110.911 108.800 -0.014 0.000 2.320 519 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.242 519 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.242 519 G C 0.101 175.002 174.900 0.001 0.000 1.033 519 G CA 0.031 45.130 45.100 -0.002 0.000 0.620 519 G HN 0.718 nan 8.290 nan 0.000 0.517 520 I N 1.557 122.127 120.570 0.000 0.000 2.648 520 I HA 0.310 4.479 4.170 -0.002 0.000 0.284 520 I C 0.618 176.735 176.117 0.000 0.000 1.153 520 I CA 0.218 61.517 61.300 -0.000 0.000 1.426 520 I CB 0.937 38.936 38.000 -0.002 0.000 1.381 520 I HN 0.180 nan 8.210 nan 0.000 0.571 521 E N 6.624 126.827 120.200 0.005 0.000 2.081 521 E HA 0.435 4.784 4.350 -0.002 0.000 0.276 521 E C -0.844 175.764 176.600 0.013 0.000 0.950 521 E CA -0.581 55.828 56.400 0.016 0.000 0.776 521 E CB 0.966 30.677 29.700 0.019 0.000 1.094 521 E HN 0.448 nan 8.360 nan 0.000 0.402 522 I N 1.014 121.595 120.570 0.020 0.000 2.460 522 I HA 0.482 4.651 4.170 -0.002 0.000 0.298 522 I C -0.116 176.058 176.117 0.095 0.000 0.989 522 I CA -1.223 60.086 61.300 0.015 0.000 1.173 522 I CB 1.505 39.452 38.000 -0.088 0.000 1.338 522 I HN 0.239 nan 8.210 nan 0.000 0.456 523 N N 6.438 125.198 118.700 0.100 0.000 2.405 523 N HA 0.286 5.024 4.740 -0.002 0.000 0.260 523 N C -1.927 173.711 175.510 0.214 0.000 1.152 523 N CA -2.303 50.819 53.050 0.119 0.000 0.948 523 N CB 0.813 39.341 38.487 0.068 0.000 1.111 523 N HN 0.400 nan 8.380 nan 0.000 0.485 524 P HA -0.025 nan 4.420 nan 0.000 0.242 524 P C 0.449 177.712 177.300 -0.062 0.000 1.197 524 P CA 0.793 63.925 63.100 0.052 0.000 0.765 524 P CB 0.347 32.053 31.700 0.010 0.000 0.936 525 Q N -1.023 118.778 119.800 0.001 0.000 2.408 525 Q HA 0.194 4.532 4.340 -0.002 0.000 0.205 525 Q C 1.033 177.024 176.000 -0.016 0.000 0.919 525 Q CA 0.071 55.862 55.803 -0.020 0.000 0.932 525 Q CB -0.034 28.702 28.738 -0.003 0.000 1.058 525 Q HN 0.168 nan 8.270 nan 0.000 0.517 526 A N 1.299 124.125 122.820 0.011 0.000 2.386 526 A HA 0.249 4.568 4.320 -0.002 0.000 0.246 526 A C 0.231 177.741 177.584 -0.123 0.000 1.089 526 A CA -0.365 51.655 52.037 -0.029 0.000 0.790 526 A CB 0.111 19.140 19.000 0.049 0.000 1.042 526 A HN 0.265 nan 8.150 nan 0.000 0.497 527 I N 1.464 121.829 120.570 -0.342 0.000 2.505 527 I HA 0.032 4.201 4.170 -0.002 0.000 0.287 527 I C -0.706 175.342 176.117 -0.115 0.000 1.104 527 I CA 0.129 61.114 61.300 -0.526 0.000 1.387 527 I CB 0.025 37.563 38.000 -0.769 0.000 1.404 527 I HN 0.352 nan 8.210 nan 0.000 0.528 528 F N 5.190 124.966 119.950 -0.290 0.000 2.404 528 F HA 0.158 4.683 4.527 -0.002 0.000 0.359 528 F C 0.728 176.374 175.800 -0.256 0.000 1.134 528 F CA -0.849 57.012 58.000 -0.231 0.000 1.160 528 F CB -0.090 38.844 39.000 -0.111 0.000 1.186 528 F HN 0.372 nan 8.300 nan 0.000 0.526 529 D N 5.594 125.834 120.400 -0.268 0.000 2.396 529 D HA 0.310 4.949 4.640 -0.002 0.000 0.225 529 D C -0.428 175.726 176.300 -0.242 0.000 1.121 529 D CA -0.077 53.711 54.000 -0.353 0.000 0.853 529 D CB 0.599 40.877 40.800 -0.869 0.000 1.043 529 D HN 0.337 nan 8.370 nan 0.000 0.500 530 I N 3.033 123.524 120.570 -0.132 0.000 2.389 530 I HA 0.236 4.405 4.170 -0.002 0.000 0.288 530 I C 0.018 176.036 176.117 -0.166 0.000 0.999 530 I CA -0.697 60.511 61.300 -0.152 0.000 1.129 530 I CB 1.997 39.959 38.000 -0.064 0.000 1.288 530 I HN 0.152 nan 8.210 nan 0.000 0.444 531 Q N 8.157 127.783 119.800 -0.289 0.000 2.363 531 Q HA 0.613 4.951 4.340 -0.002 0.000 0.265 531 Q C -1.377 174.487 176.000 -0.226 0.000 1.032 531 Q CA -0.584 55.083 55.803 -0.227 0.000 0.746 531 Q CB 1.638 30.228 28.738 -0.247 0.000 1.237 531 Q HN 0.736 nan 8.270 nan 0.000 0.475 532 I N 1.877 122.323 120.570 -0.206 0.000 2.478 532 I HA 0.722 4.891 4.170 -0.002 0.000 0.287 532 I C -1.238 174.729 176.117 -0.250 0.000 1.042 532 I CA -0.736 60.339 61.300 -0.376 0.000 1.067 532 I CB 1.588 39.345 38.000 -0.406 0.000 1.233 532 I HN 0.605 nan 8.210 nan 0.000 0.431 533 K N 3.506 123.754 120.400 -0.252 0.000 3.245 533 K HA 0.299 4.617 4.320 -0.002 0.000 0.350 533 K C -1.500 175.108 176.600 0.013 0.000 1.129 533 K CA -1.142 55.127 56.287 -0.029 0.000 0.883 533 K CB 0.588 33.057 32.500 -0.052 0.000 1.411 533 K HN 0.684 nan 8.250 nan 0.000 0.412 534 R N 0.497 121.035 120.500 0.064 0.000 2.758 534 R HA 0.067 4.406 4.340 -0.002 0.000 0.263 534 R C 0.052 176.371 176.300 0.031 0.000 1.010 534 R CA -0.682 55.468 56.100 0.084 0.000 1.114 534 R CB 0.094 30.456 30.300 0.105 0.000 0.985 534 R HN 0.357 nan 8.270 nan 0.000 0.439 535 L N 4.205 125.458 121.223 0.050 0.000 2.385 535 L HA 0.117 4.456 4.340 -0.002 0.000 0.281 535 L C -0.532 176.288 176.870 -0.083 0.000 1.106 535 L CA 0.704 55.522 54.840 -0.037 0.000 0.856 535 L CB -0.278 41.754 42.059 -0.045 0.000 1.186 535 L HN 0.589 nan 8.230 nan 0.000 0.453 536 H N 3.769 122.695 119.070 -0.241 0.000 2.947 536 H HA 0.136 4.691 4.556 -0.002 0.000 0.354 536 H C 0.629 175.775 175.328 -0.302 0.000 1.085 536 H CA -0.353 55.565 56.048 -0.216 0.000 1.253 536 H CB 1.389 31.018 29.762 -0.222 0.000 1.757 536 H HN 0.690 nan 8.280 nan 0.000 0.523 537 E N 2.589 122.805 120.200 0.026 0.000 2.164 537 E HA -0.313 4.036 4.350 -0.002 0.000 0.206 537 E C 1.152 177.602 176.600 -0.251 0.000 1.032 537 E CA 2.383 58.736 56.400 -0.078 0.000 0.832 537 E CB -0.057 29.628 29.700 -0.026 0.000 0.742 537 E HN 0.654 nan 8.360 nan 0.000 0.460 538 Y N 0.005 120.085 120.300 -0.368 0.000 2.497 538 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 538 Y C 1.592 177.379 175.900 -0.188 0.000 1.137 538 Y CA 0.863 58.631 58.100 -0.553 0.000 1.285 538 Y CB -0.133 38.034 38.460 -0.487 0.000 0.991 538 Y HN -0.158 nan 8.280 nan 0.000 0.556 539 K N 0.499 120.632 120.400 -0.445 0.000 2.314 539 K HA 0.124 4.442 4.320 -0.002 0.000 0.198 539 K C 0.298 176.842 176.600 -0.093 0.000 1.045 539 K CA 0.566 56.659 56.287 -0.324 0.000 0.988 539 K CB 0.080 32.328 32.500 -0.421 0.000 0.783 539 K HN 0.214 nan 8.250 nan 0.000 0.484 540 R N -0.026 120.471 120.500 -0.004 0.000 3.654 540 R HA -0.205 4.133 4.340 -0.002 0.000 0.302 540 R C 0.453 176.841 176.300 0.146 0.000 1.166 540 R CA 0.289 56.471 56.100 0.137 0.000 0.810 540 R CB -2.114 28.202 30.300 0.025 0.000 1.323 540 R HN 0.231 nan 8.270 nan 0.000 0.478 541 Q N 0.164 120.035 119.800 0.119 0.000 2.268 541 Q HA -0.203 4.135 4.340 -0.002 0.000 0.210 541 Q C 2.068 178.158 176.000 0.149 0.000 0.988 541 Q CA 2.192 58.069 55.803 0.123 0.000 0.883 541 Q CB -0.272 28.465 28.738 -0.000 0.000 0.911 541 Q HN 0.715 nan 8.270 nan 0.000 0.430 542 H N -1.263 117.776 119.070 -0.052 0.000 2.502 542 H HA -0.001 4.554 4.556 -0.002 0.000 0.283 542 H C 1.798 177.130 175.328 0.007 0.000 1.015 542 H CA 0.808 56.824 56.048 -0.054 0.000 1.298 542 H CB -0.564 29.165 29.762 -0.055 0.000 1.411 542 H HN 0.274 nan 8.280 nan 0.000 0.556 543 L N 1.544 122.738 121.223 -0.048 0.000 2.072 543 L HA -0.033 4.306 4.340 -0.002 0.000 0.205 543 L C 2.192 179.120 176.870 0.096 0.000 1.079 543 L CA 1.934 56.750 54.840 -0.040 0.000 0.752 543 L CB -1.084 40.869 42.059 -0.176 0.000 0.906 543 L HN 0.383 nan 8.230 nan 0.000 0.436 544 N N -0.865 117.883 118.700 0.080 0.000 2.094 544 N HA -0.273 4.466 4.740 -0.002 0.000 0.191 544 N C 1.984 177.589 175.510 0.159 0.000 1.023 544 N CA 1.462 54.652 53.050 0.232 0.000 0.857 544 N CB -0.206 38.404 38.487 0.205 0.000 1.013 544 N HN 0.379 nan 8.380 nan 0.000 0.426 545 L N 0.920 122.196 121.223 0.088 0.000 2.131 545 L HA -0.031 4.308 4.340 -0.002 0.000 0.210 545 L C 1.862 178.718 176.870 -0.023 0.000 1.092 545 L CA 1.274 56.087 54.840 -0.045 0.000 0.759 545 L CB -0.317 41.664 42.059 -0.130 0.000 0.903 545 L HN 0.298 nan 8.230 nan 0.000 0.435 546 L N -1.289 120.000 121.223 0.109 0.000 2.109 546 L HA -0.203 4.136 4.340 -0.002 0.000 0.207 546 L C 2.596 179.667 176.870 0.335 0.000 1.086 546 L CA 1.337 56.303 54.840 0.211 0.000 0.760 546 L CB -0.809 41.437 42.059 0.313 0.000 0.910 546 L HN 0.493 nan 8.230 nan 0.000 0.437 547 H N 0.370 119.558 119.070 0.197 0.000 2.457 547 H HA -0.096 4.459 4.556 -0.002 0.000 0.294 547 H C 2.212 177.480 175.328 -0.100 0.000 1.064 547 H CA 1.172 57.234 56.048 0.023 0.000 1.330 547 H CB 0.371 30.094 29.762 -0.064 0.000 1.395 547 H HN 0.329 nan 8.280 nan 0.000 0.541 548 I N 0.449 120.820 120.570 -0.331 0.000 2.500 548 I HA -0.217 3.952 4.170 -0.002 0.000 0.252 548 I C 2.319 178.283 176.117 -0.254 0.000 1.142 548 I CA 0.331 61.309 61.300 -0.537 0.000 1.451 548 I CB -0.001 37.642 38.000 -0.595 0.000 1.093 548 I HN 0.229 nan 8.210 nan 0.000 0.430 549 L N 0.558 121.711 121.223 -0.117 0.000 2.027 549 L HA -0.178 4.161 4.340 -0.002 0.000 0.206 549 L C 2.918 179.826 176.870 0.064 0.000 1.074 549 L CA 1.320 56.177 54.840 0.029 0.000 0.745 549 L CB -0.748 41.329 42.059 0.031 0.000 0.898 549 L HN 0.219 nan 8.230 nan 0.000 0.433 550 A N 0.270 123.115 122.820 0.041 0.000 1.869 550 A HA -0.275 4.044 4.320 -0.002 0.000 0.218 550 A C 2.298 179.867 177.584 -0.026 0.000 1.203 550 A CA 1.928 53.994 52.037 0.049 0.000 0.638 550 A CB -1.043 18.044 19.000 0.144 0.000 0.831 550 A HN 0.371 nan 8.150 nan 0.000 0.450 551 L N -1.911 119.225 121.223 -0.146 0.000 2.043 551 L HA -0.236 4.102 4.340 -0.002 0.000 0.212 551 L C 2.634 179.519 176.870 0.025 0.000 1.075 551 L CA 2.141 56.917 54.840 -0.106 0.000 0.752 551 L CB -0.446 41.493 42.059 -0.200 0.000 0.891 551 L HN 0.683 nan 8.230 nan 0.000 0.432 552 Y N 0.939 121.175 120.300 -0.107 0.000 2.200 552 Y HA -0.278 4.271 4.550 -0.002 0.000 0.290 552 Y C 2.597 178.483 175.900 -0.023 0.000 1.137 552 Y CA 1.871 59.936 58.100 -0.057 0.000 1.163 552 Y CB -0.345 38.079 38.460 -0.059 0.000 0.988 552 Y HN 0.118 nan 8.280 nan 0.000 0.518 553 K N 0.562 120.892 120.400 -0.117 0.000 2.031 553 K HA -0.222 4.097 4.320 -0.002 0.000 0.205 553 K C 2.154 178.681 176.600 -0.121 0.000 1.049 553 K CA 1.560 57.724 56.287 -0.206 0.000 0.939 553 K CB -0.394 32.047 32.500 -0.098 0.000 0.717 553 K HN 0.462 nan 8.250 nan 0.000 0.438 554 E N 1.226 121.394 120.200 -0.053 0.000 2.086 554 E HA -0.212 4.137 4.350 -0.002 0.000 0.200 554 E C 2.028 178.608 176.600 -0.034 0.000 1.012 554 E CA 2.002 58.384 56.400 -0.030 0.000 0.812 554 E CB -0.237 29.455 29.700 -0.013 0.000 0.743 554 E HN 0.604 nan 8.360 nan 0.000 0.453 555 I N -2.355 118.201 120.570 -0.024 0.000 3.059 555 I HA -0.036 4.133 4.170 -0.002 0.000 0.270 555 I C 2.070 178.165 176.117 -0.037 0.000 1.238 555 I CA 0.697 61.993 61.300 -0.007 0.000 1.478 555 I CB -0.335 37.690 38.000 0.041 0.000 1.097 555 I HN 0.016 nan 8.210 nan 0.000 0.455 556 R N 1.649 122.080 120.500 -0.115 0.000 2.075 556 R HA 0.018 4.356 4.340 -0.002 0.000 0.226 556 R C 0.891 177.134 176.300 -0.095 0.000 1.114 556 R CA 1.084 57.094 56.100 -0.151 0.000 0.972 556 R CB 0.023 30.133 30.300 -0.316 0.000 0.869 556 R HN 0.516 nan 8.270 nan 0.000 0.437 557 E N 0.610 120.758 120.200 -0.086 0.000 2.411 557 E HA 0.052 4.401 4.350 -0.002 0.000 0.204 557 E C -0.659 175.920 176.600 -0.035 0.000 1.059 557 E CA -0.153 56.212 56.400 -0.058 0.000 1.112 557 E CB 0.218 29.883 29.700 -0.059 0.000 1.168 557 E HN 0.088 nan 8.360 nan 0.000 0.445 558 N N 0.409 119.092 118.700 -0.029 0.000 4.007 558 N HA -0.018 4.721 4.740 -0.002 0.000 0.141 558 N C -2.481 173.022 175.510 -0.011 0.000 1.418 558 N CA -0.719 52.321 53.050 -0.017 0.000 1.130 558 N CB 0.429 38.908 38.487 -0.014 0.000 1.740 558 N HN -0.128 nan 8.380 nan 0.000 0.731 559 P HA -0.127 nan 4.420 nan 0.000 0.224 559 P C 0.522 177.821 177.300 -0.002 0.000 1.142 559 P CA 0.953 64.051 63.100 -0.004 0.000 0.778 559 P CB 0.485 32.183 31.700 -0.003 0.000 0.764 560 Q N -0.309 119.489 119.800 -0.003 0.000 2.373 560 Q HA 0.261 4.600 4.340 -0.002 0.000 0.206 560 Q C 0.665 176.665 176.000 -0.001 0.000 0.942 560 Q CA -0.310 55.492 55.803 -0.001 0.000 0.953 560 Q CB -0.774 27.963 28.738 -0.002 0.000 1.022 560 Q HN 0.208 nan 8.270 nan 0.000 0.502 561 A N 0.355 123.174 122.820 -0.001 0.000 2.401 561 A HA 0.241 4.560 4.320 -0.002 0.000 0.259 561 A C -0.289 177.295 177.584 -0.001 0.000 1.103 561 A CA -0.280 51.756 52.037 -0.001 0.000 0.789 561 A CB 0.340 19.339 19.000 -0.002 0.000 1.035 561 A HN 0.040 nan 8.150 nan 0.000 0.491 562 D N 1.314 121.714 120.400 -0.001 0.000 2.590 562 D HA 0.294 4.933 4.640 -0.002 0.000 0.280 562 D C -0.406 175.891 176.300 -0.005 0.000 1.197 562 D CA -0.083 53.917 54.000 -0.001 0.000 0.967 562 D CB 0.025 40.826 40.800 0.002 0.000 0.987 562 D HN 0.314 nan 8.370 nan 0.000 0.508 563 R N 0.465 120.959 120.500 -0.009 0.000 2.637 563 R HA 0.409 4.748 4.340 -0.002 0.000 0.291 563 R C -0.334 175.947 176.300 -0.032 0.000 0.963 563 R CA -0.997 55.091 56.100 -0.020 0.000 0.901 563 R CB 1.621 31.910 30.300 -0.018 0.000 1.160 563 R HN 0.143 nan 8.270 nan 0.000 0.457 564 V N 2.348 122.229 119.914 -0.055 0.000 2.811 564 V HA 0.344 4.463 4.120 -0.002 0.000 0.302 564 V C -2.122 173.908 176.094 -0.106 0.000 1.063 564 V CA -1.600 60.654 62.300 -0.077 0.000 1.088 564 V CB 0.807 32.579 31.823 -0.084 0.000 0.982 564 V HN 0.559 nan 8.190 nan 0.000 0.485 565 P HA 0.354 nan 4.420 nan 0.000 0.271 565 P C -0.929 176.279 177.300 -0.154 0.000 1.216 565 P CA 0.069 63.119 63.100 -0.083 0.000 0.771 565 P CB 0.350 32.022 31.700 -0.048 0.000 0.864 566 R N 1.448 121.862 120.500 -0.144 0.000 2.803 566 R HA 0.666 5.005 4.340 -0.002 0.000 0.276 566 R C -1.192 174.978 176.300 -0.215 0.000 0.978 566 R CA -1.124 54.808 56.100 -0.281 0.000 0.939 566 R CB 1.953 31.977 30.300 -0.459 0.000 1.179 566 R HN 0.190 nan 8.270 nan 0.000 0.472 567 V N 3.214 122.954 119.914 -0.290 0.000 2.407 567 V HA 0.377 4.496 4.120 -0.002 0.000 0.291 567 V C -0.903 174.946 176.094 -0.409 0.000 1.018 567 V CA -0.594 61.542 62.300 -0.273 0.000 0.842 567 V CB 1.141 32.740 31.823 -0.372 0.000 0.996 567 V HN 0.523 nan 8.190 nan 0.000 0.426 568 F N 5.595 125.418 119.950 -0.212 0.000 2.410 568 F HA 0.641 5.167 4.527 -0.002 0.000 0.349 568 F C -0.021 175.596 175.800 -0.305 0.000 1.117 568 F CA -0.378 57.458 58.000 -0.274 0.000 1.104 568 F CB 1.381 40.245 39.000 -0.225 0.000 1.122 568 F HN 0.233 nan 8.300 nan 0.000 0.483 569 L N 4.404 125.469 121.223 -0.264 0.000 2.341 569 L HA 0.556 4.894 4.340 -0.002 0.000 0.278 569 L C -1.099 175.517 176.870 -0.424 0.000 1.005 569 L CA -0.444 54.262 54.840 -0.223 0.000 0.818 569 L CB 1.507 43.459 42.059 -0.179 0.000 1.259 569 L HN 0.411 nan 8.230 nan 0.000 0.418 570 F N 0.615 120.462 119.950 -0.172 0.000 2.520 570 F HA 0.731 5.257 4.527 -0.003 0.000 0.322 570 F C 0.596 176.305 175.800 -0.151 0.000 1.103 570 F CA -0.732 57.073 58.000 -0.325 0.000 0.926 570 F CB 2.325 40.789 39.000 -0.893 0.000 1.154 570 F HN 0.384 nan 8.300 nan 0.000 0.453 571 G N 1.537 110.295 108.800 -0.071 0.000 2.557 571 G HA2 0.769 4.727 3.960 -0.002 0.000 0.310 571 G HA3 0.769 4.727 3.960 -0.002 0.000 0.310 571 G C -1.661 173.153 174.900 -0.143 0.000 1.328 571 G CA -0.786 44.235 45.100 -0.133 0.000 0.945 571 G HN 0.961 nan 8.290 nan 0.000 0.494 572 A N 2.591 125.601 122.820 0.317 0.000 2.590 572 A HA 0.751 5.069 4.320 -0.002 0.000 0.296 572 A C -0.855 176.924 177.584 0.326 0.000 1.050 572 A CA -0.878 51.322 52.037 0.273 0.000 0.697 572 A CB 1.388 20.511 19.000 0.205 0.000 1.277 572 A HN 0.619 nan 8.150 nan 0.000 0.411 573 K N 0.519 121.060 120.400 0.235 0.000 2.208 573 K HA 0.797 5.116 4.320 -0.002 0.000 0.247 573 K C -0.327 176.414 176.600 0.236 0.000 0.953 573 K CA -0.533 55.890 56.287 0.226 0.000 0.837 573 K CB 2.523 35.054 32.500 0.053 0.000 1.131 573 K HN 0.984 nan 8.250 nan 0.000 0.431 574 A N 1.249 124.239 122.820 0.284 0.000 2.318 574 A HA 0.642 4.961 4.320 -0.002 0.000 0.324 574 A C -0.304 177.430 177.584 0.251 0.000 1.170 574 A CA -0.716 51.413 52.037 0.153 0.000 0.810 574 A CB 0.955 19.962 19.000 0.012 0.000 1.198 574 A HN 0.796 nan 8.150 nan 0.000 0.484 575 A N 3.795 126.763 122.820 0.248 0.000 2.587 575 A HA 0.363 4.682 4.320 -0.002 0.000 0.235 575 A C -1.439 176.174 177.584 0.049 0.000 1.044 575 A CA -0.217 51.947 52.037 0.212 0.000 0.754 575 A CB -0.362 18.741 19.000 0.172 0.000 0.968 575 A HN 0.606 nan 8.150 nan 0.000 0.509 576 P HA -0.056 nan 4.420 nan 0.000 0.220 576 P C 1.330 178.519 177.300 -0.185 0.000 1.148 576 P CA 1.657 64.633 63.100 -0.207 0.000 0.803 576 P CB 0.198 31.741 31.700 -0.263 0.000 0.782 577 G N -2.551 106.131 108.800 -0.197 0.000 2.985 577 G HA2 -0.136 3.823 3.960 -0.002 0.000 0.209 577 G HA3 -0.136 3.823 3.960 -0.002 0.000 0.209 577 G C -0.093 174.442 174.900 -0.609 0.000 1.165 577 G CA 0.041 44.898 45.100 -0.405 0.000 0.776 577 G HN 0.177 nan 8.290 nan 0.000 0.541 578 Y N 2.211 122.224 120.300 -0.479 0.000 2.724 578 Y HA 0.390 4.938 4.550 -0.002 0.000 0.332 578 Y C 0.619 176.346 175.900 -0.287 0.000 1.276 578 Y CA -2.571 55.311 58.100 -0.363 0.000 1.597 578 Y CB -0.477 37.853 38.460 -0.216 0.000 1.584 578 Y HN 0.213 nan 8.280 nan 0.000 0.478 579 Y N 1.691 122.104 120.300 0.189 0.000 2.256 579 Y HA -0.272 4.277 4.550 -0.002 0.000 0.288 579 Y C 2.080 178.002 175.900 0.035 0.000 1.155 579 Y CA 1.188 59.332 58.100 0.073 0.000 1.203 579 Y CB -0.819 37.677 38.460 0.060 0.000 0.980 579 Y HN 0.487 nan 8.280 nan 0.000 0.530 580 L N 0.612 121.964 121.223 0.215 0.000 1.976 580 L HA -0.108 4.230 4.340 -0.002 0.000 0.209 580 L C 2.393 179.161 176.870 -0.169 0.000 1.071 580 L CA 2.143 57.028 54.840 0.075 0.000 0.746 580 L CB -1.430 40.731 42.059 0.170 0.000 0.890 580 L HN 0.116 nan 8.230 nan 0.000 0.432 581 A N -0.729 121.743 122.820 -0.580 0.000 1.986 581 A HA -0.263 4.056 4.320 -0.002 0.000 0.220 581 A C 2.332 179.744 177.584 -0.286 0.000 1.171 581 A CA 2.081 53.721 52.037 -0.661 0.000 0.640 581 A CB -0.627 17.637 19.000 -1.227 0.000 0.811 581 A HN 0.581 nan 8.150 nan 0.000 0.451 582 K N -0.646 119.662 120.400 -0.152 0.000 2.217 582 K HA -0.076 4.243 4.320 -0.002 0.000 0.202 582 K C 1.880 178.502 176.600 0.037 0.000 1.051 582 K CA 0.993 57.267 56.287 -0.021 0.000 0.952 582 K CB -0.166 32.357 32.500 0.038 0.000 0.736 582 K HN 0.620 nan 8.250 nan 0.000 0.453 583 N N 0.883 119.613 118.700 0.050 0.000 2.354 583 N HA -0.060 4.679 4.740 -0.002 0.000 0.179 583 N C 1.694 177.305 175.510 0.169 0.000 1.021 583 N CA 0.536 53.689 53.050 0.172 0.000 0.887 583 N CB 0.200 38.790 38.487 0.172 0.000 0.974 583 N HN 0.100 nan 8.380 nan 0.000 0.437 584 I N 0.909 121.476 120.570 -0.005 0.000 2.353 584 I HA -0.185 3.984 4.170 -0.002 0.000 0.248 584 I C 2.146 178.212 176.117 -0.084 0.000 1.119 584 I CA 0.570 61.809 61.300 -0.101 0.000 1.417 584 I CB -0.047 37.812 38.000 -0.235 0.000 1.078 584 I HN 0.103 nan 8.210 nan 0.000 0.421 585 I N 0.064 120.632 120.570 -0.003 0.000 2.151 585 I HA -0.364 3.805 4.170 -0.002 0.000 0.243 585 I C 2.485 178.628 176.117 0.044 0.000 1.080 585 I CA 1.555 62.905 61.300 0.084 0.000 1.339 585 I CB -0.390 37.657 38.000 0.078 0.000 1.039 585 I HN 0.191 nan 8.210 nan 0.000 0.409 586 F N 1.809 121.713 119.950 -0.076 0.000 2.095 586 F HA -0.279 4.247 4.527 -0.002 0.000 0.298 586 F C 2.456 178.240 175.800 -0.027 0.000 1.104 586 F CA 1.425 59.417 58.000 -0.014 0.000 1.232 586 F CB -0.809 38.265 39.000 0.124 0.000 0.987 586 F HN 0.040 nan 8.300 nan 0.000 0.475 587 A N 0.576 123.240 122.820 -0.260 0.000 1.877 587 A HA -0.163 4.155 4.320 -0.002 0.000 0.216 587 A C 2.421 179.629 177.584 -0.626 0.000 1.186 587 A CA 1.978 53.477 52.037 -0.897 0.000 0.620 587 A CB -1.215 17.179 19.000 -1.011 0.000 0.822 587 A HN 0.474 nan 8.150 nan 0.000 0.443 588 I N -0.087 120.218 120.570 -0.442 0.000 2.142 588 I HA -0.283 3.886 4.170 -0.002 0.000 0.240 588 I C 2.239 178.151 176.117 -0.342 0.000 1.078 588 I CA 1.361 62.385 61.300 -0.460 0.000 1.343 588 I CB -0.485 37.144 38.000 -0.619 0.000 1.046 588 I HN 0.308 nan 8.210 nan 0.000 0.405 589 N N 0.797 119.358 118.700 -0.232 0.000 2.149 589 N HA -0.177 4.562 4.740 -0.002 0.000 0.188 589 N C 1.784 177.176 175.510 -0.198 0.000 1.019 589 N CA 1.215 54.145 53.050 -0.200 0.000 0.857 589 N CB -0.180 38.145 38.487 -0.269 0.000 0.997 589 N HN 0.256 nan 8.380 nan 0.000 0.426 590 K N 0.602 120.849 120.400 -0.256 0.000 2.031 590 K HA 0.070 4.389 4.320 -0.002 0.000 0.205 590 K C 2.108 178.575 176.600 -0.220 0.000 1.049 590 K CA 0.361 56.532 56.287 -0.194 0.000 0.939 590 K CB -0.807 31.585 32.500 -0.179 0.000 0.717 590 K HN 0.018 nan 8.250 nan 0.000 0.438 591 V N 1.690 121.323 119.914 -0.468 0.000 2.490 591 V HA -0.195 3.923 4.120 -0.002 0.000 0.250 591 V C 2.361 178.200 176.094 -0.425 0.000 1.061 591 V CA 1.818 63.672 62.300 -0.743 0.000 1.064 591 V CB -0.737 30.579 31.823 -0.846 0.000 0.670 591 V HN 0.254 nan 8.190 nan 0.000 0.461 592 A N -0.411 122.228 122.820 -0.302 0.000 1.929 592 A HA -0.178 4.141 4.320 -0.002 0.000 0.216 592 A C 2.008 179.509 177.584 -0.138 0.000 1.176 592 A CA 1.566 53.480 52.037 -0.205 0.000 0.628 592 A CB -0.449 18.471 19.000 -0.134 0.000 0.816 592 A HN 0.497 nan 8.150 nan 0.000 0.444 593 D N -0.219 120.121 120.400 -0.100 0.000 2.178 593 D HA -0.086 4.553 4.640 -0.002 0.000 0.201 593 D C 2.052 178.335 176.300 -0.028 0.000 0.980 593 D CA 1.174 55.148 54.000 -0.045 0.000 0.842 593 D CB -0.165 40.626 40.800 -0.015 0.000 0.948 593 D HN 0.224 nan 8.370 nan 0.000 0.472 594 V N 1.143 121.047 119.914 -0.016 0.000 2.244 594 V HA -0.186 3.933 4.120 -0.002 0.000 0.244 594 V C 2.558 178.614 176.094 -0.063 0.000 1.042 594 V CA 1.034 63.362 62.300 0.046 0.000 1.006 594 V CB -0.298 31.696 31.823 0.285 0.000 0.641 594 V HN 0.139 nan 8.190 nan 0.000 0.446 595 I N 0.751 121.161 120.570 -0.266 0.000 2.335 595 I HA -0.238 3.931 4.170 -0.002 0.000 0.251 595 I C 2.131 178.132 176.117 -0.194 0.000 1.129 595 I CA 1.320 62.353 61.300 -0.445 0.000 1.402 595 I CB -0.404 37.238 38.000 -0.598 0.000 1.069 595 I HN 0.375 nan 8.210 nan 0.000 0.424 596 N N 0.648 119.274 118.700 -0.123 0.000 2.409 596 N HA -0.060 4.678 4.740 -0.002 0.000 0.179 596 N C 0.907 176.400 175.510 -0.029 0.000 1.032 596 N CA 0.827 53.839 53.050 -0.063 0.000 0.898 596 N CB -0.163 38.298 38.487 -0.045 0.000 0.971 596 N HN 0.411 nan 8.380 nan 0.000 0.441 597 N N 0.445 119.134 118.700 -0.018 0.000 2.204 597 N HA -0.024 4.715 4.740 -0.002 0.000 0.219 597 N C -0.690 174.836 175.510 0.026 0.000 1.151 597 N CA -0.030 53.025 53.050 0.007 0.000 0.867 597 N CB 0.864 39.357 38.487 0.011 0.000 1.043 597 N HN 0.118 nan 8.380 nan 0.000 0.516 598 D N 2.190 122.612 120.400 0.038 0.000 2.359 598 D HA 0.153 4.792 4.640 -0.002 0.000 0.230 598 D C -1.399 174.940 176.300 0.066 0.000 1.118 598 D CA -2.004 52.042 54.000 0.077 0.000 0.844 598 D CB 1.861 42.757 40.800 0.159 0.000 1.059 598 D HN 0.016 nan 8.370 nan 0.000 0.493 599 P HA -0.159 nan 4.420 nan 0.000 0.221 599 P C 1.487 178.813 177.300 0.043 0.000 1.145 599 P CA 0.231 63.354 63.100 0.038 0.000 0.795 599 P CB 0.490 32.207 31.700 0.029 0.000 0.775 600 L N -0.770 120.487 121.223 0.057 0.000 2.465 600 L HA -0.027 4.312 4.340 -0.002 0.000 0.224 600 L C 2.145 179.058 176.870 0.071 0.000 1.145 600 L CA 1.213 56.086 54.840 0.054 0.000 0.834 600 L CB -0.616 41.474 42.059 0.052 0.000 0.944 600 L HN -0.223 nan 8.230 nan 0.000 0.451 601 V N -1.100 118.868 119.914 0.090 0.000 2.581 601 V HA 0.310 4.429 4.120 -0.002 0.000 0.240 601 V C 1.953 178.077 176.094 0.050 0.000 1.054 601 V CA 0.796 63.150 62.300 0.091 0.000 1.076 601 V CB -0.785 31.102 31.823 0.107 0.000 0.748 601 V HN 0.585 nan 8.190 nan 0.000 0.474 602 G N 0.926 109.748 108.800 0.037 0.000 2.651 602 G HA2 -0.391 3.568 3.960 -0.002 0.000 0.315 602 G HA3 -0.391 3.568 3.960 -0.002 0.000 0.315 602 G C 0.334 175.245 174.900 0.018 0.000 1.258 602 G CA 0.759 45.873 45.100 0.024 0.000 1.002 602 G HN 0.430 nan 8.290 nan 0.000 0.551 603 D N 1.045 121.454 120.400 0.016 0.000 2.370 603 D HA 0.272 4.911 4.640 -0.002 0.000 0.230 603 D C 1.924 178.229 176.300 0.009 0.000 1.143 603 D CA 0.266 54.273 54.000 0.012 0.000 0.834 603 D CB 0.275 41.083 40.800 0.014 0.000 0.944 603 D HN 0.498 nan 8.370 nan 0.000 0.504 604 K N -0.504 119.905 120.400 0.015 0.000 2.361 604 K HA 0.251 4.570 4.320 -0.002 0.000 0.194 604 K C 0.285 176.894 176.600 0.016 0.000 1.032 604 K CA 0.293 56.587 56.287 0.013 0.000 1.048 604 K CB 1.481 33.996 32.500 0.024 0.000 0.842 604 K HN 0.020 nan 8.250 nan 0.000 0.526 605 L N 1.377 122.612 121.223 0.020 0.000 2.614 605 L HA 0.321 4.660 4.340 -0.002 0.000 0.264 605 L C -1.711 175.161 176.870 0.003 0.000 0.940 605 L CA -0.546 54.313 54.840 0.032 0.000 0.903 605 L CB 1.742 43.820 42.059 0.032 0.000 1.306 605 L HN -0.087 nan 8.230 nan 0.000 0.410 606 K N 3.404 123.815 120.400 0.018 0.000 2.469 606 K HA 0.653 4.972 4.320 -0.002 0.000 0.254 606 K C -1.336 175.287 176.600 0.038 0.000 0.939 606 K CA -0.727 55.555 56.287 -0.008 0.000 0.812 606 K CB 3.294 35.775 32.500 -0.031 0.000 1.301 606 K HN 0.245 nan 8.250 nan 0.000 0.433 607 V N 1.743 121.667 119.914 0.017 0.000 2.409 607 V HA 0.388 4.507 4.120 -0.002 0.000 0.291 607 V C -0.388 175.749 176.094 0.072 0.000 1.020 607 V CA -0.968 61.377 62.300 0.075 0.000 0.848 607 V CB 1.688 33.523 31.823 0.020 0.000 0.990 607 V HN 0.423 nan 8.190 nan 0.000 0.430 608 V N 5.592 125.564 119.914 0.097 0.000 2.407 608 V HA 0.425 4.543 4.120 -0.002 0.000 0.291 608 V C -0.811 175.433 176.094 0.250 0.000 1.018 608 V CA -0.431 61.939 62.300 0.117 0.000 0.842 608 V CB 1.686 33.528 31.823 0.032 0.000 0.996 608 V HN 0.706 nan 8.190 nan 0.000 0.426 609 F N 6.418 126.458 119.950 0.150 0.000 2.335 609 F HA 0.499 5.024 4.527 -0.002 0.000 0.365 609 F C -0.208 175.755 175.800 0.271 0.000 1.122 609 F CA -1.476 56.652 58.000 0.213 0.000 1.151 609 F CB 0.809 39.839 39.000 0.050 0.000 1.282 609 F HN 0.194 nan 8.300 nan 0.000 0.513 610 L N 8.195 129.747 121.223 0.548 0.000 2.361 610 L HA 0.270 4.609 4.340 -0.002 0.000 0.278 610 L C -1.951 175.098 176.870 0.299 0.000 1.113 610 L CA -1.864 53.177 54.840 0.335 0.000 0.849 610 L CB 0.393 42.624 42.059 0.286 0.000 1.155 610 L HN 0.378 nan 8.230 nan 0.000 0.452 611 P HA 0.080 nan 4.420 nan 0.000 0.275 611 P C -0.126 177.104 177.300 -0.116 0.000 1.227 611 P CA -0.108 62.810 63.100 -0.303 0.000 0.781 611 P CB 0.784 32.201 31.700 -0.473 0.000 0.906 612 D N 0.464 120.786 120.400 -0.129 0.000 2.809 612 D HA -0.233 4.406 4.640 -0.002 0.000 0.234 612 D C -0.631 175.703 176.300 0.057 0.000 1.111 612 D CA 0.392 54.354 54.000 -0.063 0.000 0.726 612 D CB -2.163 38.589 40.800 -0.081 0.000 1.089 612 D HN 0.358 nan 8.370 nan 0.000 0.436 613 Y N 0.705 121.020 120.300 0.025 0.000 2.996 613 Y HA 0.101 4.650 4.550 -0.002 0.000 0.347 613 Y C 0.883 176.802 175.900 0.031 0.000 1.276 613 Y CA 0.535 58.679 58.100 0.074 0.000 1.601 613 Y CB -0.067 38.466 38.460 0.122 0.000 1.193 613 Y HN 0.435 nan 8.280 nan 0.000 0.582 614 C N 3.072 122.066 119.300 -0.510 0.000 3.320 614 C HA 0.478 4.936 4.460 -0.002 0.000 0.335 614 C C 1.079 175.840 174.990 -0.381 0.000 1.430 614 C CA -0.510 58.269 59.018 -0.398 0.000 1.271 614 C CB 0.638 28.280 27.740 -0.163 0.000 1.609 614 C HN 0.654 nan 8.230 nan 0.000 0.457 615 V N 1.560 121.359 119.914 -0.192 0.000 2.278 615 V HA -0.208 3.910 4.120 -0.002 0.000 0.251 615 V C 2.661 178.744 176.094 -0.018 0.000 1.062 615 V CA 3.091 65.373 62.300 -0.030 0.000 1.038 615 V CB -1.023 30.798 31.823 -0.004 0.000 0.646 615 V HN 0.975 nan 8.190 nan 0.000 0.447 616 S N -0.204 115.461 115.700 -0.058 0.000 2.368 616 S HA -0.163 4.305 4.470 -0.002 0.000 0.225 616 S C 2.211 176.775 174.600 -0.061 0.000 1.030 616 S CA 1.400 59.563 58.200 -0.061 0.000 0.999 616 S CB -0.507 62.667 63.200 -0.043 0.000 0.844 616 S HN 0.678 nan 8.310 nan 0.000 0.459 617 A N 1.561 124.382 122.820 0.002 0.000 1.902 617 A HA 0.078 4.397 4.320 -0.002 0.000 0.217 617 A C 2.347 180.020 177.584 0.148 0.000 1.181 617 A CA 1.728 53.825 52.037 0.100 0.000 0.623 617 A CB -1.078 18.097 19.000 0.292 0.000 0.818 617 A HN 0.523 nan 8.150 nan 0.000 0.443 618 A N -0.259 122.666 122.820 0.175 0.000 1.972 618 A HA -0.163 4.156 4.320 -0.002 0.000 0.219 618 A C 1.859 179.629 177.584 0.310 0.000 1.169 618 A CA 1.601 53.832 52.037 0.322 0.000 0.635 618 A CB -0.484 18.713 19.000 0.329 0.000 0.810 618 A HN 0.662 nan 8.150 nan 0.000 0.446 619 E N -0.302 120.018 120.200 0.200 0.000 2.204 619 E HA -0.135 4.214 4.350 -0.002 0.000 0.194 619 E C 1.702 178.319 176.600 0.028 0.000 0.989 619 E CA 0.918 57.385 56.400 0.111 0.000 0.824 619 E CB 0.007 29.666 29.700 -0.069 0.000 0.756 619 E HN 0.449 nan 8.360 nan 0.000 0.477 620 K N 0.321 120.684 120.400 -0.062 0.000 2.137 620 K HA 0.004 4.323 4.320 -0.002 0.000 0.202 620 K C 2.167 178.785 176.600 0.030 0.000 1.052 620 K CA 0.507 56.723 56.287 -0.118 0.000 0.961 620 K CB -0.021 32.209 32.500 -0.449 0.000 0.741 620 K HN 0.156 nan 8.250 nan 0.000 0.452 621 L N 0.725 122.010 121.223 0.104 0.000 2.095 621 L HA -0.023 4.316 4.340 -0.002 0.000 0.204 621 L C 2.399 179.355 176.870 0.142 0.000 1.080 621 L CA 0.724 55.656 54.840 0.153 0.000 0.759 621 L CB -0.348 41.822 42.059 0.185 0.000 0.914 621 L HN 0.001 nan 8.230 nan 0.000 0.439 622 I N 0.060 120.720 120.570 0.150 0.000 2.163 622 I HA -0.219 3.950 4.170 -0.002 0.000 0.243 622 I C -0.489 175.692 176.117 0.107 0.000 1.085 622 I CA 1.429 62.806 61.300 0.129 0.000 1.347 622 I CB -1.277 36.814 38.000 0.152 0.000 1.044 622 I HN 0.218 nan 8.210 nan 0.000 0.408 623 P HA -0.091 nan 4.420 nan 0.000 0.225 623 P C 0.876 178.200 177.300 0.041 0.000 1.148 623 P CA 1.149 64.281 63.100 0.053 0.000 0.779 623 P CB 0.056 31.775 31.700 0.031 0.000 0.780 624 A N -0.989 121.882 122.820 0.085 0.000 2.267 624 A HA 0.492 4.811 4.320 -0.002 0.000 0.213 624 A C 1.213 178.876 177.584 0.131 0.000 1.192 624 A CA 0.101 52.196 52.037 0.097 0.000 0.851 624 A CB -0.674 18.449 19.000 0.206 0.000 0.881 624 A HN 0.195 nan 8.150 nan 0.000 0.494 625 A N 0.167 123.070 122.820 0.139 0.000 2.462 625 A HA 0.394 4.712 4.320 -0.002 0.000 0.243 625 A C 0.439 178.123 177.584 0.166 0.000 1.076 625 A CA 0.209 52.338 52.037 0.153 0.000 0.773 625 A CB 0.234 19.299 19.000 0.110 0.000 1.010 625 A HN 0.331 nan 8.150 nan 0.000 0.493 626 D N 0.349 120.860 120.400 0.185 0.000 2.525 626 D HA 0.130 4.769 4.640 -0.002 0.000 0.248 626 D C 0.118 176.651 176.300 0.388 0.000 1.000 626 D CA 0.784 54.983 54.000 0.331 0.000 0.923 626 D CB 0.218 41.136 40.800 0.196 0.000 1.101 626 D HN 0.370 nan 8.370 nan 0.000 0.493 627 I N 1.359 122.043 120.570 0.191 0.000 2.354 627 I HA 0.160 4.329 4.170 -0.002 0.000 0.292 627 I C 0.126 176.285 176.117 0.070 0.000 0.989 627 I CA -0.467 60.915 61.300 0.136 0.000 1.188 627 I CB 1.480 39.494 38.000 0.023 0.000 1.342 627 I HN -0.219 nan 8.210 nan 0.000 0.457 628 S N 6.685 122.435 115.700 0.082 0.000 2.438 628 S HA 0.329 4.798 4.470 -0.002 0.000 0.316 628 S C -0.235 174.400 174.600 0.058 0.000 1.084 628 S CA -0.628 57.599 58.200 0.045 0.000 1.107 628 S CB 0.567 63.789 63.200 0.036 0.000 0.981 628 S HN 0.435 nan 8.310 nan 0.000 0.466 629 E N 4.025 124.246 120.200 0.034 0.000 2.105 629 E HA 0.202 4.551 4.350 -0.002 0.000 0.285 629 E C -0.478 176.150 176.600 0.046 0.000 1.055 629 E CA -0.324 56.115 56.400 0.065 0.000 0.843 629 E CB 0.935 30.656 29.700 0.036 0.000 1.067 629 E HN 0.604 nan 8.360 nan 0.000 0.398 630 Q N 2.647 122.499 119.800 0.087 0.000 3.075 630 Q HA 0.238 4.576 4.340 -0.002 0.000 0.318 630 Q C 0.600 176.639 176.000 0.065 0.000 0.907 630 Q CA -0.098 55.733 55.803 0.047 0.000 0.882 630 Q CB 0.156 28.909 28.738 0.026 0.000 1.386 630 Q HN 0.611 nan 8.270 nan 0.000 0.408 631 I N -1.929 118.674 120.570 0.055 0.000 3.856 631 I HA 0.291 4.460 4.170 -0.002 0.000 0.333 631 I C 0.610 176.720 176.117 -0.012 0.000 1.525 631 I CA -0.601 60.729 61.300 0.050 0.000 1.173 631 I CB 0.443 38.458 38.000 0.026 0.000 1.175 631 I HN 0.013 nan 8.210 nan 0.000 0.424 632 S N 0.619 116.321 115.700 0.004 0.000 2.572 632 S HA 0.184 4.652 4.470 -0.002 0.000 0.279 632 S C 0.581 175.203 174.600 0.037 0.000 1.341 632 S CA -0.186 58.052 58.200 0.062 0.000 1.043 632 S CB 0.428 63.737 63.200 0.182 0.000 0.887 632 S HN 0.385 nan 8.310 nan 0.000 0.516 633 T N 3.370 117.980 114.554 0.094 0.000 2.905 633 T HA 0.296 4.644 4.350 -0.002 0.000 0.299 633 T C 0.762 175.471 174.700 0.015 0.000 1.024 633 T CA 0.550 62.688 62.100 0.064 0.000 1.151 633 T CB -0.265 68.717 68.868 0.191 0.000 0.987 633 T HN 1.078 nan 8.240 nan 0.000 0.535 634 A N 2.993 125.788 122.820 -0.042 0.000 2.580 634 A HA 0.444 4.763 4.320 -0.002 0.000 0.244 634 A C 1.668 179.228 177.584 -0.040 0.000 1.045 634 A CA 0.343 52.348 52.037 -0.053 0.000 0.761 634 A CB -0.840 18.123 19.000 -0.061 0.000 0.962 634 A HN 1.637 nan 8.150 nan 0.000 0.512 635 G N 2.060 110.836 108.800 -0.041 0.000 2.232 635 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.226 635 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.226 635 G C 0.959 175.816 174.900 -0.072 0.000 0.996 635 G CA 0.564 45.636 45.100 -0.047 0.000 0.626 635 G HN 0.642 nan 8.290 nan 0.000 0.509 636 K N 0.344 120.688 120.400 -0.093 0.000 2.313 636 K HA 0.267 4.585 4.320 -0.002 0.000 0.197 636 K C 0.806 177.138 176.600 -0.447 0.000 1.061 636 K CA 0.624 56.744 56.287 -0.278 0.000 0.980 636 K CB 0.263 32.630 32.500 -0.221 0.000 0.888 636 K HN 0.475 nan 8.250 nan 0.000 0.502 637 E N 0.617 120.728 120.200 -0.149 0.000 2.081 637 E HA 0.353 4.702 4.350 -0.002 0.000 0.281 637 E C 0.462 177.011 176.600 -0.084 0.000 0.986 637 E CA -0.148 56.233 56.400 -0.033 0.000 0.796 637 E CB 1.328 31.109 29.700 0.135 0.000 1.085 637 E HN 0.114 nan 8.360 nan 0.000 0.398 638 A N 3.421 126.144 122.820 -0.161 0.000 1.897 638 A HA -0.068 4.251 4.320 -0.002 0.000 0.215 638 A C 1.874 179.362 177.584 -0.160 0.000 1.181 638 A CA 1.713 53.584 52.037 -0.276 0.000 0.620 638 A CB -0.206 18.356 19.000 -0.730 0.000 0.821 638 A HN 0.597 nan 8.150 nan 0.000 0.443 639 S N -3.157 112.484 115.700 -0.099 0.000 3.829 639 S HA 0.487 4.955 4.470 -0.002 0.000 0.201 639 S C 0.563 175.152 174.600 -0.019 0.000 1.005 639 S CA 1.463 59.644 58.200 -0.031 0.000 0.935 639 S CB 0.213 63.413 63.200 -0.000 0.000 1.181 639 S HN 2.145 nan 8.310 nan 0.000 0.622 640 G N 0.194 108.986 108.800 -0.014 0.000 2.906 640 G HA2 0.074 4.033 3.960 -0.002 0.000 0.686 640 G HA3 0.074 4.033 3.960 -0.002 0.000 0.686 640 G C 0.146 175.012 174.900 -0.056 0.000 1.170 640 G CA 0.431 45.512 45.100 -0.032 0.000 0.775 640 G HN 1.171 nan 8.290 nan 0.000 0.630 641 T N -1.362 113.142 114.554 -0.084 0.000 3.010 641 T HA 0.360 4.709 4.350 -0.002 0.000 0.252 641 T C 2.429 177.013 174.700 -0.194 0.000 0.963 641 T CA 1.286 63.313 62.100 -0.121 0.000 0.952 641 T CB 0.251 69.049 68.868 -0.116 0.000 1.182 641 T HN 1.828 nan 8.240 nan 0.000 0.495 642 G N 3.447 112.140 108.800 -0.180 0.000 2.469 642 G HA2 -0.316 3.643 3.960 -0.002 0.000 0.219 642 G HA3 -0.316 3.643 3.960 -0.002 0.000 0.219 642 G C 1.565 176.363 174.900 -0.170 0.000 1.150 642 G CA 1.437 46.418 45.100 -0.198 0.000 0.763 642 G HN 0.688 nan 8.290 nan 0.000 0.561 643 N N 0.950 119.563 118.700 -0.145 0.000 2.149 643 N HA -0.149 4.590 4.740 -0.002 0.000 0.188 643 N C 2.015 177.409 175.510 -0.194 0.000 1.019 643 N CA 1.929 54.891 53.050 -0.146 0.000 0.857 643 N CB -0.680 37.721 38.487 -0.142 0.000 0.997 643 N HN 0.432 nan 8.380 nan 0.000 0.426 644 M N 0.305 119.758 119.600 -0.245 0.000 2.099 644 M HA 0.020 4.498 4.480 -0.002 0.000 0.262 644 M C 2.046 178.265 176.300 -0.136 0.000 1.067 644 M CA 1.467 56.613 55.300 -0.255 0.000 1.124 644 M CB -0.230 32.240 32.600 -0.218 0.000 1.353 644 M HN 0.017 nan 8.290 nan 0.000 0.410 645 K N 0.626 120.919 120.400 -0.178 0.000 2.113 645 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 645 K C 1.828 178.394 176.600 -0.057 0.000 1.047 645 K CA 1.257 57.455 56.287 -0.149 0.000 0.928 645 K CB -0.387 31.879 32.500 -0.390 0.000 0.716 645 K HN 0.294 nan 8.250 nan 0.000 0.446 646 L N -0.043 121.134 121.223 -0.076 0.000 2.131 646 L HA -0.075 4.264 4.340 -0.002 0.000 0.206 646 L C 2.476 179.348 176.870 0.002 0.000 1.087 646 L CA 0.753 55.580 54.840 -0.021 0.000 0.767 646 L CB -0.350 41.694 42.059 -0.025 0.000 0.917 646 L HN 0.203 nan 8.230 nan 0.000 0.441 647 A N -0.110 122.693 122.820 -0.028 0.000 1.930 647 A HA -0.138 4.181 4.320 -0.002 0.000 0.217 647 A C 2.204 179.806 177.584 0.030 0.000 1.175 647 A CA 1.248 53.276 52.037 -0.015 0.000 0.627 647 A CB -0.577 18.381 19.000 -0.070 0.000 0.815 647 A HN 0.339 nan 8.150 nan 0.000 0.443 648 L N -0.202 121.046 121.223 0.041 0.000 2.141 648 L HA -0.103 4.236 4.340 -0.002 0.000 0.209 648 L C 1.481 178.396 176.870 0.076 0.000 1.094 648 L CA 0.822 55.707 54.840 0.075 0.000 0.763 648 L CB -0.283 41.836 42.059 0.099 0.000 0.908 648 L HN 0.397 nan 8.230 nan 0.000 0.437 649 N N 0.053 118.792 118.700 0.066 0.000 2.370 649 N HA 0.039 4.778 4.740 -0.002 0.000 0.198 649 N C 1.046 176.588 175.510 0.053 0.000 1.156 649 N CA 0.899 53.976 53.050 0.044 0.000 0.839 649 N CB 0.764 39.283 38.487 0.054 0.000 0.989 649 N HN 0.400 nan 8.380 nan 0.000 0.468 650 G N 0.378 109.250 108.800 0.120 0.000 2.132 650 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.228 650 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.228 650 G C 0.160 175.162 174.900 0.169 0.000 1.000 650 G CA 0.144 45.363 45.100 0.198 0.000 0.693 650 G HN 0.536 nan 8.290 nan 0.000 0.515 651 A N -0.367 122.525 122.820 0.120 0.000 2.302 651 A HA 0.829 5.148 4.320 -0.002 0.000 0.285 651 A C 0.461 178.086 177.584 0.068 0.000 1.105 651 A CA -0.279 51.842 52.037 0.141 0.000 0.816 651 A CB 0.675 19.746 19.000 0.118 0.000 1.067 651 A HN 0.797 nan 8.150 nan 0.000 0.489 652 L N 0.966 122.237 121.223 0.081 0.000 2.322 652 L HA 0.412 4.751 4.340 -0.002 0.000 0.279 652 L C 0.123 177.070 176.870 0.129 0.000 1.036 652 L CA -0.508 54.327 54.840 -0.009 0.000 0.807 652 L CB 1.894 43.834 42.059 -0.198 0.000 1.226 652 L HN 0.686 nan 8.230 nan 0.000 0.433 653 T N 1.831 116.449 114.554 0.107 0.000 2.806 653 T HA 0.318 4.667 4.350 -0.002 0.000 0.290 653 T C -0.083 174.789 174.700 0.287 0.000 0.966 653 T CA -0.359 61.830 62.100 0.148 0.000 1.060 653 T CB 1.582 70.489 68.868 0.065 0.000 0.927 653 T HN 0.192 nan 8.240 nan 0.000 0.485 654 V N 3.664 123.735 119.914 0.262 0.000 2.304 654 V HA 0.709 4.827 4.120 -0.002 0.000 0.269 654 V C 0.676 177.029 176.094 0.431 0.000 1.036 654 V CA -0.226 62.266 62.300 0.321 0.000 0.840 654 V CB 0.605 32.514 31.823 0.142 0.000 1.036 654 V HN 1.077 nan 8.190 nan 0.000 0.466 655 G N 2.827 111.919 108.800 0.487 0.000 2.684 655 G HA2 0.662 4.620 3.960 -0.002 0.000 0.290 655 G HA3 0.662 4.620 3.960 -0.002 0.000 0.290 655 G C -0.420 174.388 174.900 -0.153 0.000 1.425 655 G CA -0.255 45.017 45.100 0.287 0.000 0.822 655 G HN 0.586 nan 8.290 nan 0.000 0.482 656 T N -1.318 112.997 114.554 -0.399 0.000 2.849 656 T HA 0.512 4.861 4.350 -0.002 0.000 0.284 656 T C 0.464 175.033 174.700 -0.217 0.000 1.004 656 T CA -0.639 61.160 62.100 -0.502 0.000 1.021 656 T CB 1.276 69.872 68.868 -0.453 0.000 1.013 656 T HN 0.348 nan 8.240 nan 0.000 0.527 657 L N 2.131 123.247 121.223 -0.179 0.000 2.387 657 L HA 0.378 4.716 4.340 -0.002 0.000 0.267 657 L C -0.361 176.465 176.870 -0.073 0.000 1.197 657 L CA 0.113 54.897 54.840 -0.095 0.000 1.070 657 L CB -0.522 41.492 42.059 -0.076 0.000 1.349 657 L HN 0.795 nan 8.230 nan 0.000 0.422 658 D N 0.927 121.292 120.400 -0.060 0.000 2.609 658 D HA 0.536 5.175 4.640 -0.002 0.000 0.239 658 D C 0.574 176.861 176.300 -0.022 0.000 1.229 658 D CA 0.690 54.666 54.000 -0.040 0.000 0.808 658 D CB 1.931 42.701 40.800 -0.049 0.000 1.448 658 D HN 0.404 nan 8.370 nan 0.000 0.433 659 G N 1.098 109.894 108.800 -0.007 0.000 2.684 659 G HA2 -0.258 3.700 3.960 -0.002 0.000 0.342 659 G HA3 -0.258 3.700 3.960 -0.002 0.000 0.342 659 G C 1.029 175.934 174.900 0.009 0.000 1.316 659 G CA 1.628 46.728 45.100 0.001 0.000 0.994 659 G HN 1.128 nan 8.290 nan 0.000 0.541 660 A N -0.388 122.426 122.820 -0.010 0.000 2.218 660 A HA 0.203 4.522 4.320 -0.002 0.000 0.209 660 A C 2.075 179.621 177.584 -0.063 0.000 1.168 660 A CA 1.493 53.525 52.037 -0.008 0.000 0.804 660 A CB -0.297 18.677 19.000 -0.043 0.000 0.834 660 A HN 0.555 nan 8.150 nan 0.000 0.482 661 N N 0.534 119.196 118.700 -0.063 0.000 2.094 661 N HA -0.179 4.560 4.740 -0.002 0.000 0.191 661 N C 1.880 177.375 175.510 -0.025 0.000 1.023 661 N CA 1.748 54.761 53.050 -0.062 0.000 0.857 661 N CB -0.731 37.727 38.487 -0.049 0.000 1.013 661 N HN 0.475 nan 8.380 nan 0.000 0.426 662 V N 0.393 120.305 119.914 -0.003 0.000 2.407 662 V HA -0.158 3.961 4.120 -0.002 0.000 0.248 662 V C 1.761 177.887 176.094 0.053 0.000 1.055 662 V CA 1.743 64.051 62.300 0.013 0.000 1.049 662 V CB -0.427 31.401 31.823 0.008 0.000 0.662 662 V HN 0.192 nan 8.190 nan 0.000 0.455 663 E N -0.020 120.242 120.200 0.104 0.000 2.150 663 E HA -0.094 4.254 4.350 -0.002 0.000 0.193 663 E C 2.080 178.849 176.600 0.282 0.000 0.985 663 E CA 1.795 58.323 56.400 0.214 0.000 0.814 663 E CB -0.193 29.713 29.700 0.343 0.000 0.752 663 E HN 0.728 nan 8.360 nan 0.000 0.466 664 I N 0.340 120.995 120.570 0.142 0.000 2.333 664 I HA -0.171 3.998 4.170 -0.002 0.000 0.246 664 I C 2.416 178.562 176.117 0.048 0.000 1.106 664 I CA 0.641 61.979 61.300 0.064 0.000 1.411 664 I CB -0.187 37.698 38.000 -0.191 0.000 1.082 664 I HN 0.092 nan 8.210 nan 0.000 0.420 665 A N 1.597 124.425 122.820 0.014 0.000 1.902 665 A HA -0.246 4.073 4.320 -0.002 0.000 0.217 665 A C 2.125 179.713 177.584 0.007 0.000 1.181 665 A CA 2.076 54.108 52.037 -0.007 0.000 0.623 665 A CB -0.688 18.302 19.000 -0.017 0.000 0.818 665 A HN 0.618 nan 8.150 nan 0.000 0.443 666 E N -0.482 119.736 120.200 0.030 0.000 2.204 666 E HA -0.134 4.215 4.350 -0.002 0.000 0.194 666 E C 1.782 178.398 176.600 0.028 0.000 0.989 666 E CA 1.138 57.551 56.400 0.022 0.000 0.824 666 E CB -0.083 29.631 29.700 0.024 0.000 0.756 666 E HN 0.324 nan 8.360 nan 0.000 0.477 667 K N 0.823 121.262 120.400 0.066 0.000 2.031 667 K HA -0.035 4.284 4.320 -0.002 0.000 0.205 667 K C 2.381 179.002 176.600 0.035 0.000 1.049 667 K CA 1.541 57.867 56.287 0.066 0.000 0.939 667 K CB -0.205 32.384 32.500 0.149 0.000 0.717 667 K HN 0.346 nan 8.250 nan 0.000 0.438 668 V N -2.192 117.738 119.914 0.026 0.000 3.129 668 V HA 0.252 4.370 4.120 -0.002 0.000 0.259 668 V C 0.721 176.787 176.094 -0.047 0.000 1.116 668 V CA 0.645 62.936 62.300 -0.015 0.000 1.127 668 V CB -0.776 31.026 31.823 -0.035 0.000 0.742 668 V HN 0.352 nan 8.190 nan 0.000 0.474 669 G N 1.584 110.358 108.800 -0.044 0.000 2.785 669 G HA2 -0.152 3.807 3.960 -0.002 0.000 0.686 669 G HA3 -0.152 3.807 3.960 -0.002 0.000 0.686 669 G C 0.144 174.991 174.900 -0.088 0.000 1.155 669 G CA 0.092 45.156 45.100 -0.060 0.000 0.760 669 G HN 0.828 nan 8.290 nan 0.000 0.624 670 E N 0.504 120.656 120.200 -0.079 0.000 2.204 670 E HA -0.184 4.165 4.350 -0.002 0.000 0.195 670 E C 1.821 178.335 176.600 -0.144 0.000 0.990 670 E CA 1.504 57.848 56.400 -0.094 0.000 0.821 670 E CB -0.062 29.601 29.700 -0.062 0.000 0.750 670 E HN 0.701 nan 8.360 nan 0.000 0.477 671 E N 1.279 121.397 120.200 -0.137 0.000 2.427 671 E HA -0.111 4.238 4.350 -0.002 0.000 0.196 671 E C 0.703 177.144 176.600 -0.265 0.000 1.028 671 E CA 0.531 56.831 56.400 -0.166 0.000 0.864 671 E CB -0.224 29.408 29.700 -0.112 0.000 0.813 671 E HN 0.329 nan 8.360 nan 0.000 0.514 672 N N 0.453 118.991 118.700 -0.269 0.000 2.204 672 N HA 0.272 5.011 4.740 -0.002 0.000 0.219 672 N C -0.141 175.127 175.510 -0.402 0.000 1.151 672 N CA -0.035 52.820 53.050 -0.325 0.000 0.867 672 N CB 1.608 39.963 38.487 -0.220 0.000 1.043 672 N HN 0.234 nan 8.380 nan 0.000 0.516 673 I N -0.727 119.571 120.570 -0.453 0.000 2.994 673 I HA 0.396 4.565 4.170 -0.002 0.000 0.306 673 I C -1.272 174.523 176.117 -0.537 0.000 1.195 673 I CA -0.928 60.137 61.300 -0.391 0.000 1.001 673 I CB 1.919 39.821 38.000 -0.164 0.000 1.244 673 I HN -0.255 nan 8.210 nan 0.000 0.437 674 F N 6.839 126.797 119.950 0.013 0.000 2.366 674 F HA 0.392 4.918 4.527 -0.003 0.000 0.328 674 F C 0.152 176.046 175.800 0.157 0.000 1.180 674 F CA -0.584 57.452 58.000 0.060 0.000 1.232 674 F CB 0.167 39.194 39.000 0.044 0.000 1.513 674 F HN 0.060 nan 8.300 nan 0.000 0.540 675 I N 2.664 123.367 120.570 0.222 0.000 2.696 675 I HA 0.192 4.361 4.170 -0.002 0.000 0.284 675 I C 0.050 176.351 176.117 0.307 0.000 1.129 675 I CA -0.066 61.355 61.300 0.202 0.000 1.410 675 I CB 0.140 38.176 38.000 0.059 0.000 1.399 675 I HN 0.384 nan 8.210 nan 0.000 0.579 676 F N 1.931 121.910 119.950 0.048 0.000 2.817 676 F HA 0.751 5.278 4.527 -0.000 0.000 0.317 676 F C -0.110 175.689 175.800 -0.002 0.000 1.168 676 F CA -0.244 57.775 58.000 0.031 0.000 0.911 676 F CB 0.869 39.908 39.000 0.064 0.000 1.337 676 F HN 0.847 nan 8.300 nan 0.000 0.464 677 G N 0.522 109.334 108.800 0.021 0.000 2.725 677 G HA2 -0.004 3.955 3.960 -0.002 0.000 0.220 677 G HA3 -0.004 3.955 3.960 -0.002 0.000 0.220 677 G C -1.350 173.411 174.900 -0.232 0.000 1.357 677 G CA -0.463 44.554 45.100 -0.139 0.000 0.866 677 G HN 1.219 nan 8.290 nan 0.000 0.548 678 H N 0.681 119.699 119.070 -0.086 0.000 2.562 678 H HA 0.454 5.009 4.556 -0.002 0.000 0.352 678 H C 1.345 176.613 175.328 -0.101 0.000 1.125 678 H CA 0.616 56.619 56.048 -0.074 0.000 1.379 678 H CB 0.825 30.532 29.762 -0.092 0.000 1.464 678 H HN 0.907 nan 8.280 nan 0.000 0.563 679 T N -1.587 112.994 114.554 0.044 0.000 2.726 679 T HA 0.077 4.426 4.350 -0.002 0.000 0.294 679 T C 1.780 176.472 174.700 -0.013 0.000 1.013 679 T CA -0.751 61.345 62.100 -0.006 0.000 0.996 679 T CB 0.439 69.305 68.868 -0.003 0.000 1.016 679 T HN 0.274 nan 8.240 nan 0.000 0.529 680 V N 1.496 121.393 119.914 -0.029 0.000 2.261 680 V HA -0.148 3.970 4.120 -0.002 0.000 0.246 680 V C 2.794 178.866 176.094 -0.037 0.000 1.047 680 V CA 2.231 64.509 62.300 -0.038 0.000 1.015 680 V CB -1.221 30.579 31.823 -0.037 0.000 0.642 680 V HN 0.894 nan 8.190 nan 0.000 0.446 681 E N 0.265 120.449 120.200 -0.025 0.000 2.118 681 E HA -0.266 4.083 4.350 -0.002 0.000 0.195 681 E C 2.206 178.795 176.600 -0.018 0.000 0.992 681 E CA 1.508 57.895 56.400 -0.022 0.000 0.804 681 E CB -0.305 29.388 29.700 -0.012 0.000 0.741 681 E HN 0.716 nan 8.360 nan 0.000 0.458 682 Q N -0.202 119.597 119.800 -0.001 0.000 2.269 682 Q HA 0.018 4.357 4.340 -0.002 0.000 0.201 682 Q C 2.189 178.141 176.000 -0.080 0.000 0.946 682 Q CA 0.645 56.452 55.803 0.007 0.000 0.877 682 Q CB 0.190 28.993 28.738 0.108 0.000 0.963 682 Q HN 0.118 nan 8.270 nan 0.000 0.472 683 V N 1.684 121.541 119.914 -0.095 0.000 2.261 683 V HA -0.287 3.831 4.120 -0.002 0.000 0.246 683 V C 2.091 178.084 176.094 -0.168 0.000 1.047 683 V CA 1.844 64.031 62.300 -0.188 0.000 1.015 683 V CB -0.421 31.313 31.823 -0.148 0.000 0.642 683 V HN 0.303 nan 8.190 nan 0.000 0.446 684 K N 0.114 120.449 120.400 -0.108 0.000 2.074 684 K HA -0.205 4.114 4.320 -0.002 0.000 0.209 684 K C 2.278 178.835 176.600 -0.072 0.000 1.048 684 K CA 1.617 57.852 56.287 -0.087 0.000 0.926 684 K CB -0.459 32.002 32.500 -0.065 0.000 0.713 684 K HN 0.492 nan 8.250 nan 0.000 0.444 685 A N 1.350 124.135 122.820 -0.058 0.000 1.902 685 A HA -0.141 4.178 4.320 -0.002 0.000 0.217 685 A C 2.112 179.676 177.584 -0.034 0.000 1.181 685 A CA 1.318 53.335 52.037 -0.033 0.000 0.623 685 A CB -0.526 18.467 19.000 -0.011 0.000 0.818 685 A HN 0.190 nan 8.150 nan 0.000 0.443 686 I N -0.487 120.034 120.570 -0.082 0.000 2.353 686 I HA -0.205 3.964 4.170 -0.002 0.000 0.248 686 I C 2.299 178.394 176.117 -0.037 0.000 1.119 686 I CA 0.803 62.062 61.300 -0.069 0.000 1.417 686 I CB -0.286 37.582 38.000 -0.220 0.000 1.078 686 I HN 0.259 nan 8.210 nan 0.000 0.421 687 L N 0.539 121.702 121.223 -0.099 0.000 2.046 687 L HA -0.196 4.142 4.340 -0.002 0.000 0.208 687 L C 2.854 179.722 176.870 -0.003 0.000 1.077 687 L CA 1.334 56.146 54.840 -0.046 0.000 0.747 687 L CB -0.667 41.337 42.059 -0.091 0.000 0.896 687 L HN 0.258 nan 8.230 nan 0.000 0.432 688 A N 0.240 123.050 122.820 -0.017 0.000 1.898 688 A HA -0.230 4.088 4.320 -0.002 0.000 0.216 688 A C 2.390 179.983 177.584 0.015 0.000 1.181 688 A CA 1.861 53.895 52.037 -0.006 0.000 0.620 688 A CB -0.418 18.573 19.000 -0.015 0.000 0.819 688 A HN 0.366 nan 8.150 nan 0.000 0.442 689 K N -0.402 120.015 120.400 0.028 0.000 2.366 689 K HA 0.149 4.468 4.320 -0.002 0.000 0.198 689 K C 0.411 177.049 176.600 0.063 0.000 1.044 689 K CA 1.088 57.401 56.287 0.044 0.000 0.973 689 K CB -0.317 32.214 32.500 0.052 0.000 0.767 689 K HN 1.006 nan 8.250 nan 0.000 0.475 690 G N 1.562 110.413 108.800 0.085 0.000 2.607 690 G HA2 -0.193 3.766 3.960 -0.002 0.000 0.613 690 G HA3 -0.193 3.766 3.960 -0.002 0.000 0.613 690 G C -1.448 173.556 174.900 0.174 0.000 1.099 690 G CA -0.418 44.742 45.100 0.101 0.000 1.280 690 G HN 0.302 nan 8.290 nan 0.000 0.573 691 Y N 2.592 122.912 120.300 0.033 0.000 2.365 691 Y HA 0.577 5.126 4.550 -0.002 0.000 0.340 691 Y C -0.155 175.790 175.900 0.076 0.000 1.016 691 Y CA -1.253 56.882 58.100 0.057 0.000 1.196 691 Y CB 1.632 40.083 38.460 -0.016 0.000 1.167 691 Y HN 0.365 nan 8.280 nan 0.000 0.509 692 D N 9.519 129.801 120.400 -0.195 0.000 2.477 692 D HA 0.263 4.902 4.640 -0.002 0.000 0.239 692 D C -1.857 174.196 176.300 -0.413 0.000 1.102 692 D CA -2.467 51.377 54.000 -0.260 0.000 0.901 692 D CB 1.414 42.191 40.800 -0.039 0.000 1.026 692 D HN 0.361 nan 8.370 nan 0.000 0.515 693 P HA -0.171 nan 4.420 nan 0.000 0.216 693 P C 1.517 178.779 177.300 -0.063 0.000 1.150 693 P CA 0.606 63.408 63.100 -0.496 0.000 0.843 693 P CB 0.537 32.026 31.700 -0.352 0.000 0.787 694 V N 0.871 120.756 119.914 -0.047 0.000 2.427 694 V HA -0.187 3.932 4.120 -0.002 0.000 0.248 694 V C 2.829 178.955 176.094 0.054 0.000 1.051 694 V CA 1.784 64.092 62.300 0.015 0.000 1.048 694 V CB -1.224 30.600 31.823 0.002 0.000 0.666 694 V HN 0.148 nan 8.190 nan 0.000 0.456 695 K N -0.989 119.446 120.400 0.059 0.000 2.097 695 K HA -0.224 4.095 4.320 -0.002 0.000 0.206 695 K C 1.960 178.588 176.600 0.047 0.000 1.049 695 K CA 1.943 58.248 56.287 0.031 0.000 0.933 695 K CB -0.219 32.278 32.500 -0.005 0.000 0.717 695 K HN 0.531 nan 8.250 nan 0.000 0.442 696 W N 1.036 122.337 121.300 0.001 0.000 2.418 696 W HA -0.001 4.656 4.660 -0.005 0.000 0.292 696 W C 2.401 178.936 176.519 0.028 0.000 1.213 696 W CA 0.995 58.374 57.345 0.057 0.000 1.283 696 W CB -0.182 29.354 29.460 0.127 0.000 1.119 696 W HN 0.115 nan 8.180 nan 0.000 0.542 697 R N 0.895 121.536 120.500 0.236 0.000 2.081 697 R HA -0.176 4.163 4.340 -0.002 0.000 0.235 697 R C 1.914 178.248 176.300 0.056 0.000 1.131 697 R CA 1.391 57.549 56.100 0.097 0.000 0.960 697 R CB -0.130 30.197 30.300 0.044 0.000 0.856 697 R HN -0.110 nan 8.270 nan 0.000 0.436 698 K N 0.756 121.186 120.400 0.050 0.000 2.097 698 K HA -0.051 4.267 4.320 -0.002 0.000 0.205 698 K C 1.828 178.438 176.600 0.016 0.000 1.050 698 K CA 1.065 57.365 56.287 0.020 0.000 0.938 698 K CB -0.057 32.447 32.500 0.008 0.000 0.718 698 K HN 0.119 nan 8.250 nan 0.000 0.442 699 K N 1.049 121.459 120.400 0.016 0.000 2.439 699 K HA -0.030 4.289 4.320 -0.002 0.000 0.197 699 K C 0.174 176.799 176.600 0.041 0.000 1.041 699 K CA 0.340 56.627 56.287 -0.000 0.000 0.970 699 K CB 0.018 32.480 32.500 -0.065 0.000 0.773 699 K HN 0.143 nan 8.250 nan 0.000 0.479 700 D N 0.972 121.415 120.400 0.072 0.000 2.414 700 D HA 0.065 4.704 4.640 -0.002 0.000 0.232 700 D C 0.711 177.042 176.300 0.052 0.000 1.070 700 D CA -0.111 53.946 54.000 0.094 0.000 0.839 700 D CB 1.531 42.433 40.800 0.169 0.000 1.079 700 D HN -0.145 nan 8.370 nan 0.000 0.521 701 K N 2.498 122.933 120.400 0.058 0.000 2.057 701 K HA -0.100 4.219 4.320 -0.002 0.000 0.207 701 K C 1.519 178.139 176.600 0.033 0.000 1.049 701 K CA 1.189 57.498 56.287 0.037 0.000 0.931 701 K CB 0.278 32.801 32.500 0.039 0.000 0.714 701 K HN 0.281 nan 8.250 nan 0.000 0.440 702 V N 1.413 121.370 119.914 0.071 0.000 2.323 702 V HA -0.215 3.904 4.120 -0.002 0.000 0.244 702 V C 2.247 178.335 176.094 -0.010 0.000 1.041 702 V CA 1.356 63.705 62.300 0.081 0.000 1.025 702 V CB -0.531 31.411 31.823 0.198 0.000 0.656 702 V HN 0.354 nan 8.190 nan 0.000 0.451 703 L N 1.225 122.370 121.223 -0.129 0.000 1.990 703 L HA -0.251 4.088 4.340 -0.002 0.000 0.213 703 L C 2.140 178.873 176.870 -0.229 0.000 1.072 703 L CA 2.734 57.275 54.840 -0.498 0.000 0.755 703 L CB -1.081 40.631 42.059 -0.580 0.000 0.889 703 L HN 0.463 nan 8.230 nan 0.000 0.432 704 D N -0.901 119.436 120.400 -0.105 0.000 2.144 704 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 704 D C 2.004 178.283 176.300 -0.034 0.000 0.984 704 D CA 1.471 55.439 54.000 -0.053 0.000 0.834 704 D CB -0.019 40.770 40.800 -0.019 0.000 0.955 704 D HN 0.494 nan 8.370 nan 0.000 0.465 705 A N -0.254 122.552 122.820 -0.023 0.000 1.898 705 A HA -0.018 4.301 4.320 -0.002 0.000 0.214 705 A C 2.551 180.134 177.584 -0.001 0.000 1.183 705 A CA 1.127 53.158 52.037 -0.009 0.000 0.622 705 A CB -0.823 18.175 19.000 -0.003 0.000 0.824 705 A HN 0.183 nan 8.150 nan 0.000 0.444 706 V N 0.239 120.149 119.914 -0.006 0.000 2.282 706 V HA -0.290 3.828 4.120 -0.002 0.000 0.249 706 V C 2.595 178.699 176.094 0.017 0.000 1.057 706 V CA 2.210 64.521 62.300 0.018 0.000 1.032 706 V CB -0.621 31.211 31.823 0.016 0.000 0.645 706 V HN 0.597 nan 8.190 nan 0.000 0.447 707 L N -0.751 120.459 121.223 -0.023 0.000 2.131 707 L HA -0.218 4.120 4.340 -0.002 0.000 0.210 707 L C 2.477 179.363 176.870 0.027 0.000 1.092 707 L CA 1.673 56.511 54.840 -0.004 0.000 0.759 707 L CB -0.522 41.521 42.059 -0.026 0.000 0.903 707 L HN 0.287 nan 8.230 nan 0.000 0.435 708 K N -0.249 120.161 120.400 0.017 0.000 2.283 708 K HA -0.143 4.176 4.320 -0.002 0.000 0.202 708 K C 1.874 178.493 176.600 0.031 0.000 1.048 708 K CA 0.923 57.222 56.287 0.020 0.000 0.948 708 K CB -0.008 32.495 32.500 0.004 0.000 0.742 708 K HN 0.372 nan 8.250 nan 0.000 0.458 709 E N 0.650 120.882 120.200 0.053 0.000 2.208 709 E HA -0.110 4.239 4.350 -0.002 0.000 0.193 709 E C 1.746 178.431 176.600 0.142 0.000 0.988 709 E CA 0.681 57.123 56.400 0.069 0.000 0.828 709 E CB 0.066 29.853 29.700 0.145 0.000 0.763 709 E HN 0.247 nan 8.360 nan 0.000 0.478 710 L N 0.451 121.779 121.223 0.174 0.000 2.240 710 L HA -0.083 4.256 4.340 -0.002 0.000 0.211 710 L C 1.941 178.959 176.870 0.246 0.000 1.106 710 L CA 0.822 55.819 54.840 0.261 0.000 0.793 710 L CB 0.006 42.150 42.059 0.143 0.000 0.927 710 L HN 0.040 nan 8.230 nan 0.000 0.446 711 E N -0.555 119.716 120.200 0.118 0.000 2.299 711 E HA -0.118 4.231 4.350 -0.002 0.000 0.193 711 E C 2.117 178.719 176.600 0.004 0.000 0.998 711 E CA 0.970 57.403 56.400 0.056 0.000 0.851 711 E CB 0.168 29.888 29.700 0.034 0.000 0.795 711 E HN 0.378 nan 8.360 nan 0.000 0.492 712 S N -0.958 114.747 115.700 0.009 0.000 2.562 712 S HA 0.107 4.576 4.470 -0.002 0.000 0.221 712 S C 1.683 176.240 174.600 -0.073 0.000 0.975 712 S CA 0.560 58.735 58.200 -0.042 0.000 0.918 712 S CB 0.341 63.512 63.200 -0.050 0.000 0.772 712 S HN 0.336 nan 8.310 nan 0.000 0.531 713 G N 1.745 110.510 108.800 -0.059 0.000 2.176 713 G HA2 -0.368 3.591 3.960 -0.002 0.000 0.253 713 G HA3 -0.368 3.591 3.960 -0.002 0.000 0.253 713 G C 0.769 175.613 174.900 -0.094 0.000 0.979 713 G CA 0.599 45.643 45.100 -0.093 0.000 0.641 713 G HN 0.597 nan 8.290 nan 0.000 0.530 714 K N -0.562 119.754 120.400 -0.141 0.000 2.113 714 K HA -0.101 4.218 4.320 -0.002 0.000 0.208 714 K C 1.635 177.986 176.600 -0.415 0.000 1.047 714 K CA 2.006 58.096 56.287 -0.328 0.000 0.928 714 K CB -0.200 31.985 32.500 -0.526 0.000 0.716 714 K HN 0.541 nan 8.250 nan 0.000 0.446 715 Y N -0.531 119.819 120.300 0.083 0.000 2.467 715 Y HA 0.155 4.704 4.550 -0.002 0.000 0.250 715 Y C 0.594 176.525 175.900 0.053 0.000 1.155 715 Y CA -0.117 58.026 58.100 0.072 0.000 1.249 715 Y CB 0.944 39.439 38.460 0.059 0.000 1.146 715 Y HN 0.058 nan 8.280 nan 0.000 0.524 716 S N -1.207 114.542 115.700 0.082 0.000 2.740 716 S HA 0.181 4.650 4.470 -0.002 0.000 0.244 716 S C -0.243 174.331 174.600 -0.044 0.000 1.101 716 S CA -0.373 57.804 58.200 -0.038 0.000 1.123 716 S CB -0.381 62.659 63.200 -0.266 0.000 1.012 716 S HN 0.316 nan 8.310 nan 0.000 0.491 717 D N 1.163 121.548 120.400 -0.024 0.000 2.720 717 D HA -0.148 4.491 4.640 -0.002 0.000 0.229 717 D C 1.306 177.578 176.300 -0.046 0.000 1.198 717 D CA 1.893 55.876 54.000 -0.029 0.000 0.639 717 D CB -1.437 39.358 40.800 -0.007 0.000 1.003 717 D HN 1.210 nan 8.370 nan 0.000 0.411 718 G N 0.553 109.313 108.800 -0.068 0.000 2.336 718 G HA2 -0.344 3.615 3.960 -0.002 0.000 0.233 718 G HA3 -0.344 3.615 3.960 -0.002 0.000 0.233 718 G C 0.118 174.954 174.900 -0.107 0.000 1.053 718 G CA 0.244 45.297 45.100 -0.079 0.000 0.625 718 G HN 0.753 nan 8.290 nan 0.000 0.511 719 D N 1.512 121.846 120.400 -0.109 0.000 2.368 719 D HA 0.259 4.897 4.640 -0.002 0.000 0.268 719 D C 1.456 177.624 176.300 -0.219 0.000 1.298 719 D CA 0.204 54.118 54.000 -0.143 0.000 0.938 719 D CB 0.437 41.170 40.800 -0.111 0.000 1.101 719 D HN 0.467 nan 8.370 nan 0.000 0.509 720 K N 2.271 122.493 120.400 -0.296 0.000 2.439 720 K HA -0.071 4.248 4.320 -0.002 0.000 0.197 720 K C 0.622 176.970 176.600 -0.421 0.000 1.041 720 K CA 0.544 56.613 56.287 -0.363 0.000 0.970 720 K CB 0.277 32.507 32.500 -0.449 0.000 0.773 720 K HN 0.519 nan 8.250 nan 0.000 0.479 721 H N -1.299 117.699 119.070 -0.120 0.000 2.594 721 H HA 0.240 4.795 4.556 -0.002 0.000 0.279 721 H C 1.521 176.741 175.328 -0.180 0.000 1.042 721 H CA 0.191 56.168 56.048 -0.118 0.000 1.177 721 H CB 0.498 30.217 29.762 -0.072 0.000 1.524 721 H HN 0.135 nan 8.280 nan 0.000 0.537 722 A N 0.921 123.575 122.820 -0.276 0.000 1.917 722 A HA -0.186 4.132 4.320 -0.002 0.000 0.219 722 A C 1.002 178.348 177.584 -0.397 0.000 1.182 722 A CA 1.408 53.169 52.037 -0.460 0.000 0.633 722 A CB -0.698 17.681 19.000 -1.035 0.000 0.819 722 A HN 0.179 nan 8.150 nan 0.000 0.448 723 F N 0.615 120.631 119.950 0.109 0.000 2.730 723 F HA 0.209 4.734 4.527 -0.002 0.000 0.295 723 F C 0.731 176.542 175.800 0.019 0.000 1.143 723 F CA -0.761 57.285 58.000 0.076 0.000 1.367 723 F CB -0.341 38.673 39.000 0.023 0.000 0.970 723 F HN 0.193 nan 8.300 nan 0.000 0.514 724 D N -0.045 120.395 120.400 0.068 0.000 2.097 724 D HA -0.192 4.447 4.640 -0.002 0.000 0.197 724 D C 1.904 178.158 176.300 -0.077 0.000 0.984 724 D CA 1.163 55.072 54.000 -0.153 0.000 0.826 724 D CB -0.534 40.024 40.800 -0.404 0.000 0.973 724 D HN 0.308 nan 8.370 nan 0.000 0.460 725 Q N -0.162 119.687 119.800 0.082 0.000 2.118 725 Q HA -0.248 4.090 4.340 -0.002 0.000 0.211 725 Q C 2.221 178.314 176.000 0.156 0.000 0.998 725 Q CA 1.626 57.523 55.803 0.158 0.000 0.872 725 Q CB -0.307 28.522 28.738 0.152 0.000 0.925 725 Q HN 0.374 nan 8.270 nan 0.000 0.414 726 M N 0.009 119.699 119.600 0.149 0.000 2.099 726 M HA -0.177 4.302 4.480 -0.002 0.000 0.262 726 M C 1.640 178.038 176.300 0.163 0.000 1.067 726 M CA 1.198 56.586 55.300 0.146 0.000 1.124 726 M CB 0.077 32.753 32.600 0.127 0.000 1.353 726 M HN 0.190 nan 8.290 nan 0.000 0.410 727 L N 0.120 121.411 121.223 0.113 0.000 2.017 727 L HA -0.243 4.096 4.340 -0.002 0.000 0.208 727 L C 2.589 179.537 176.870 0.130 0.000 1.073 727 L CA 1.852 56.741 54.840 0.082 0.000 0.745 727 L CB -2.033 40.031 42.059 0.008 0.000 0.894 727 L HN 0.378 nan 8.230 nan 0.000 0.432 728 H N -0.649 118.494 119.070 0.122 0.000 2.387 728 H HA -0.070 4.484 4.556 -0.002 0.000 0.299 728 H C 2.447 177.840 175.328 0.108 0.000 1.090 728 H CA 1.443 57.550 56.048 0.100 0.000 1.332 728 H CB -0.348 29.467 29.762 0.090 0.000 1.386 728 H HN 0.442 nan 8.280 nan 0.000 0.516 729 S N 0.734 116.597 115.700 0.272 0.000 2.399 729 S HA -0.092 4.377 4.470 -0.002 0.000 0.231 729 S C 1.935 176.671 174.600 0.227 0.000 1.022 729 S CA 1.305 59.650 58.200 0.242 0.000 0.983 729 S CB -0.596 62.760 63.200 0.260 0.000 0.803 729 S HN 0.601 nan 8.310 nan 0.000 0.480 730 I N -1.584 119.111 120.570 0.207 0.000 4.018 730 I HA 0.513 4.682 4.170 -0.002 0.000 0.337 730 I C 0.937 177.117 176.117 0.105 0.000 1.327 730 I CA -0.375 61.022 61.300 0.161 0.000 1.100 730 I CB -0.319 37.761 38.000 0.132 0.000 1.025 730 I HN 0.276 nan 8.210 nan 0.000 0.396 731 G N 1.181 110.052 108.800 0.117 0.000 2.857 731 G HA2 0.238 4.197 3.960 -0.002 0.000 0.217 731 G HA3 0.238 4.197 3.960 -0.002 0.000 0.217 731 G C 0.329 175.265 174.900 0.060 0.000 1.357 731 G CA -0.273 44.880 45.100 0.087 0.000 1.033 731 G HN -0.088 nan 8.290 nan 0.000 0.571 732 K N -0.524 119.906 120.400 0.050 0.000 2.057 732 K HA -0.050 4.269 4.320 -0.002 0.000 0.206 732 K C 2.705 179.311 176.600 0.009 0.000 1.050 732 K CA 1.513 57.808 56.287 0.013 0.000 0.935 732 K CB -0.412 32.093 32.500 0.009 0.000 0.715 732 K HN 0.401 nan 8.250 nan 0.000 0.439 733 Q N -1.073 118.734 119.800 0.010 0.000 2.045 733 Q HA -0.058 4.281 4.340 -0.002 0.000 0.206 733 Q C 2.144 178.145 176.000 0.001 0.000 0.991 733 Q CA 2.052 57.822 55.803 -0.054 0.000 0.851 733 Q CB -0.927 27.676 28.738 -0.225 0.000 0.911 733 Q HN 0.442 nan 8.270 nan 0.000 0.418 734 G N -1.774 107.064 108.800 0.064 0.000 2.603 734 G HA2 0.267 4.226 3.960 -0.002 0.000 0.214 734 G HA3 0.267 4.226 3.960 -0.002 0.000 0.214 734 G C 0.991 175.934 174.900 0.072 0.000 1.140 734 G CA 0.377 45.529 45.100 0.087 0.000 0.800 734 G HN 0.619 nan 8.290 nan 0.000 0.533 735 G N 0.173 109.006 108.800 0.055 0.000 2.179 735 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.260 735 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.260 735 G C 0.316 175.270 174.900 0.090 0.000 0.977 735 G CA 0.899 46.020 45.100 0.035 0.000 0.641 735 G HN 1.130 nan 8.290 nan 0.000 0.533 736 D N -0.801 119.679 120.400 0.132 0.000 2.812 736 D HA -0.127 4.511 4.640 -0.002 0.000 0.237 736 D C -0.302 176.112 176.300 0.189 0.000 1.162 736 D CA 1.115 55.238 54.000 0.205 0.000 0.740 736 D CB -0.401 40.533 40.800 0.224 0.000 1.000 736 D HN 0.379 nan 8.370 nan 0.000 0.416 737 P HA -0.135 nan 4.420 nan 0.000 0.221 737 P C 0.782 177.827 177.300 -0.425 0.000 1.145 737 P CA 1.167 64.117 63.100 -0.250 0.000 0.795 737 P CB -0.057 31.345 31.700 -0.497 0.000 0.775 738 Y N -1.340 119.012 120.300 0.086 0.000 2.485 738 Y HA 0.306 4.855 4.550 -0.001 0.000 0.260 738 Y C 1.181 177.071 175.900 -0.017 0.000 1.173 738 Y CA -0.460 57.676 58.100 0.059 0.000 1.252 738 Y CB -0.260 38.294 38.460 0.158 0.000 1.123 738 Y HN -0.301 nan 8.280 nan 0.000 0.524 739 L N -0.754 120.487 121.223 0.030 0.000 3.634 739 L HA -0.331 4.008 4.340 -0.002 0.000 0.423 739 L C 0.980 177.831 176.870 -0.032 0.000 1.253 739 L CA -0.211 54.548 54.840 -0.135 0.000 0.885 739 L CB -2.278 39.552 42.059 -0.382 0.000 1.789 739 L HN 0.121 nan 8.230 nan 0.000 0.904 740 V N -0.686 119.252 119.914 0.040 0.000 2.287 740 V HA -0.338 3.781 4.120 -0.002 0.000 0.248 740 V C 2.487 178.620 176.094 0.065 0.000 1.053 740 V CA 2.577 64.876 62.300 -0.001 0.000 1.027 740 V CB -0.280 31.462 31.823 -0.135 0.000 0.646 740 V HN 0.510 nan 8.190 nan 0.000 0.447 741 M N 0.010 119.654 119.600 0.072 0.000 2.086 741 M HA -0.123 4.356 4.480 -0.002 0.000 0.261 741 M C 2.431 178.740 176.300 0.016 0.000 1.067 741 M CA 2.341 57.693 55.300 0.087 0.000 1.116 741 M CB -1.547 31.113 32.600 0.098 0.000 1.348 741 M HN 0.409 nan 8.290 nan 0.000 0.407 742 A N -0.235 122.381 122.820 -0.340 0.000 2.070 742 A HA -0.154 4.164 4.320 -0.002 0.000 0.220 742 A C 1.721 179.250 177.584 -0.093 0.000 1.159 742 A CA 1.729 53.242 52.037 -0.874 0.000 0.656 742 A CB -0.516 17.727 19.000 -1.262 0.000 0.800 742 A HN 0.423 nan 8.150 nan 0.000 0.453 743 D N -2.185 118.263 120.400 0.080 0.000 2.367 743 D HA 0.093 4.732 4.640 -0.002 0.000 0.207 743 D C 1.260 177.730 176.300 0.283 0.000 1.034 743 D CA -0.030 54.096 54.000 0.210 0.000 0.861 743 D CB -0.164 40.741 40.800 0.175 0.000 0.943 743 D HN 0.444 nan 8.370 nan 0.000 0.515 744 F N 2.120 122.161 119.950 0.152 0.000 2.126 744 F HA -0.230 4.295 4.527 -0.003 0.000 0.299 744 F C 2.112 178.031 175.800 0.198 0.000 1.096 744 F CA 1.755 59.865 58.000 0.184 0.000 1.255 744 F CB 0.029 39.122 39.000 0.155 0.000 0.997 744 F HN -0.041 nan 8.300 nan 0.000 0.479 745 A N 0.432 123.442 122.820 0.317 0.000 1.877 745 A HA -0.077 4.242 4.320 -0.002 0.000 0.216 745 A C 2.390 179.986 177.584 0.021 0.000 1.186 745 A CA 1.805 53.940 52.037 0.164 0.000 0.620 745 A CB -1.616 17.557 19.000 0.289 0.000 0.822 745 A HN 0.517 nan 8.150 nan 0.000 0.443 746 A N -1.753 121.129 122.820 0.103 0.000 1.972 746 A HA -0.083 4.235 4.320 -0.002 0.000 0.219 746 A C 2.122 179.684 177.584 -0.037 0.000 1.169 746 A CA 1.711 53.809 52.037 0.101 0.000 0.635 746 A CB -0.706 18.417 19.000 0.205 0.000 0.810 746 A HN 0.707 nan 8.150 nan 0.000 0.446 747 Y N 0.527 120.634 120.300 -0.322 0.000 2.133 747 Y HA -0.130 4.419 4.550 -0.002 0.000 0.287 747 Y C 2.383 177.840 175.900 -0.738 0.000 1.134 747 Y CA 1.634 59.218 58.100 -0.861 0.000 1.133 747 Y CB -0.650 37.420 38.460 -0.651 0.000 0.987 747 Y HN 0.046 nan 8.280 nan 0.000 0.502 748 V N 0.843 120.331 119.914 -0.708 0.000 2.469 748 V HA -0.271 3.847 4.120 -0.002 0.000 0.251 748 V C 2.325 178.165 176.094 -0.424 0.000 1.064 748 V CA 2.243 64.144 62.300 -0.664 0.000 1.066 748 V CB -0.674 30.878 31.823 -0.452 0.000 0.667 748 V HN 0.407 nan 8.190 nan 0.000 0.461 749 E N 0.791 120.816 120.200 -0.291 0.000 2.107 749 E HA -0.091 4.257 4.350 -0.002 0.000 0.191 749 E C 2.092 178.584 176.600 -0.179 0.000 0.982 749 E CA 1.514 57.820 56.400 -0.157 0.000 0.809 749 E CB -0.411 29.253 29.700 -0.060 0.000 0.756 749 E HN 0.482 nan 8.360 nan 0.000 0.459 750 A N 0.524 123.192 122.820 -0.253 0.000 1.930 750 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 750 A C 2.094 179.435 177.584 -0.405 0.000 1.175 750 A CA 1.275 53.181 52.037 -0.219 0.000 0.627 750 A CB -0.485 18.403 19.000 -0.187 0.000 0.815 750 A HN 0.227 nan 8.150 nan 0.000 0.443 751 Q N -0.156 119.296 119.800 -0.580 0.000 2.364 751 Q HA -0.118 4.220 4.340 -0.002 0.000 0.209 751 Q C 1.726 177.530 176.000 -0.327 0.000 0.977 751 Q CA 1.253 56.724 55.803 -0.554 0.000 0.885 751 Q CB -0.161 28.123 28.738 -0.757 0.000 0.941 751 Q HN 0.710 nan 8.270 nan 0.000 0.464 752 K N 0.348 120.601 120.400 -0.245 0.000 2.044 752 K HA -0.092 4.227 4.320 -0.002 0.000 0.204 752 K C 2.096 178.641 176.600 -0.092 0.000 1.049 752 K CA 0.833 57.044 56.287 -0.127 0.000 0.945 752 K CB 0.133 32.582 32.500 -0.084 0.000 0.724 752 K HN 0.226 nan 8.250 nan 0.000 0.440 753 Q N 0.404 120.156 119.800 -0.080 0.000 2.181 753 Q HA -0.149 4.190 4.340 -0.002 0.000 0.205 753 Q C 2.041 178.034 176.000 -0.012 0.000 0.980 753 Q CA 1.217 57.043 55.803 0.038 0.000 0.862 753 Q CB -0.270 28.578 28.738 0.184 0.000 0.905 753 Q HN 0.067 nan 8.270 nan 0.000 0.429 754 V N 2.048 121.736 119.914 -0.377 0.000 2.231 754 V HA -0.339 3.780 4.120 -0.002 0.000 0.250 754 V C 1.481 177.572 176.094 -0.004 0.000 1.058 754 V CA 2.434 64.534 62.300 -0.333 0.000 1.022 754 V CB -0.681 30.854 31.823 -0.481 0.000 0.640 754 V HN 0.363 nan 8.190 nan 0.000 0.445 755 D N -0.349 120.015 120.400 -0.061 0.000 2.133 755 D HA -0.165 4.473 4.640 -0.002 0.000 0.195 755 D C 1.996 178.345 176.300 0.083 0.000 0.997 755 D CA 1.487 55.482 54.000 -0.008 0.000 0.840 755 D CB -0.389 40.394 40.800 -0.029 0.000 0.947 755 D HN 0.324 nan 8.370 nan 0.000 0.452 756 V N 0.319 120.290 119.914 0.095 0.000 2.427 756 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 756 V C 2.171 178.380 176.094 0.191 0.000 1.051 756 V CA 1.000 63.372 62.300 0.120 0.000 1.048 756 V CB -0.319 31.570 31.823 0.108 0.000 0.666 756 V HN 0.179 nan 8.190 nan 0.000 0.456 757 L N -1.201 120.211 121.223 0.314 0.000 2.240 757 L HA -0.037 4.302 4.340 -0.002 0.000 0.211 757 L C 2.166 179.327 176.870 0.484 0.000 1.106 757 L CA 1.623 56.722 54.840 0.430 0.000 0.793 757 L CB -0.661 41.769 42.059 0.617 0.000 0.927 757 L HN 0.395 nan 8.230 nan 0.000 0.446 758 Y N 0.082 120.510 120.300 0.215 0.000 2.352 758 Y HA -0.128 4.420 4.550 -0.002 0.000 0.292 758 Y C 2.461 178.287 175.900 -0.123 0.000 1.136 758 Y CA 1.361 59.346 58.100 -0.192 0.000 1.227 758 Y CB 0.013 38.144 38.460 -0.548 0.000 0.991 758 Y HN 0.121 nan 8.280 nan 0.000 0.545 759 R N -0.538 119.996 120.500 0.057 0.000 2.148 759 R HA -0.086 4.253 4.340 -0.002 0.000 0.223 759 R C 0.218 176.498 176.300 -0.032 0.000 1.088 759 R CA 1.034 57.132 56.100 -0.004 0.000 0.985 759 R CB -0.188 30.133 30.300 0.035 0.000 0.880 759 R HN 0.159 nan 8.270 nan 0.000 0.451 760 D N 1.027 121.439 120.400 0.020 0.000 2.563 760 D HA 0.009 4.647 4.640 -0.002 0.000 0.222 760 D C 0.845 177.163 176.300 0.029 0.000 1.145 760 D CA -0.052 53.965 54.000 0.028 0.000 1.001 760 D CB 0.664 41.504 40.800 0.067 0.000 1.049 760 D HN -0.111 nan 8.370 nan 0.000 0.515 761 Q N 1.312 121.078 119.800 -0.057 0.000 2.248 761 Q HA -0.209 4.130 4.340 -0.002 0.000 0.208 761 Q C 1.435 177.458 176.000 0.039 0.000 0.984 761 Q CA 0.972 56.734 55.803 -0.068 0.000 0.875 761 Q CB 0.137 28.787 28.738 -0.146 0.000 0.910 761 Q HN 0.716 nan 8.270 nan 0.000 0.433 762 E N -0.513 119.707 120.200 0.033 0.000 2.107 762 E HA -0.095 4.254 4.350 -0.002 0.000 0.191 762 E C 1.726 178.356 176.600 0.051 0.000 0.982 762 E CA 0.831 57.255 56.400 0.040 0.000 0.809 762 E CB 0.085 29.799 29.700 0.022 0.000 0.756 762 E HN 0.271 nan 8.360 nan 0.000 0.459 763 A N 1.711 124.572 122.820 0.068 0.000 1.929 763 A HA -0.140 4.178 4.320 -0.002 0.000 0.216 763 A C 2.001 179.635 177.584 0.084 0.000 1.176 763 A CA 0.867 52.938 52.037 0.058 0.000 0.628 763 A CB -1.153 17.887 19.000 0.066 0.000 0.816 763 A HN 0.681 nan 8.150 nan 0.000 0.444 764 W N 1.384 122.671 121.300 -0.022 0.000 2.315 764 W HA -0.211 4.448 4.660 -0.002 0.000 0.323 764 W C 1.887 178.399 176.519 -0.011 0.000 1.233 764 W CA 2.685 60.029 57.345 -0.002 0.000 1.267 764 W CB -0.933 28.491 29.460 -0.060 0.000 1.160 764 W HN 0.360 nan 8.180 nan 0.000 0.474 765 T N 1.299 115.975 114.554 0.204 0.000 2.759 765 T HA -0.197 4.152 4.350 -0.002 0.000 0.269 765 T C 1.869 176.503 174.700 -0.110 0.000 1.042 765 T CA 1.769 63.916 62.100 0.078 0.000 1.140 765 T CB -0.321 68.618 68.868 0.117 0.000 0.864 765 T HN 0.190 nan 8.240 nan 0.000 0.455 766 R N 1.135 121.590 120.500 -0.075 0.000 2.083 766 R HA -0.032 4.306 4.340 -0.002 0.000 0.237 766 R C 2.840 179.041 176.300 -0.165 0.000 1.137 766 R CA 1.495 57.531 56.100 -0.107 0.000 0.951 766 R CB -0.629 29.630 30.300 -0.068 0.000 0.851 766 R HN 0.396 nan 8.270 nan 0.000 0.434 767 A N 1.402 124.104 122.820 -0.197 0.000 1.898 767 A HA -0.053 4.266 4.320 -0.002 0.000 0.216 767 A C 2.422 179.845 177.584 -0.268 0.000 1.181 767 A CA 1.547 53.434 52.037 -0.251 0.000 0.620 767 A CB -0.548 18.254 19.000 -0.329 0.000 0.819 767 A HN 0.394 nan 8.150 nan 0.000 0.442 768 A N -0.164 122.471 122.820 -0.308 0.000 1.933 768 A HA -0.087 4.232 4.320 -0.002 0.000 0.218 768 A C 2.094 179.586 177.584 -0.153 0.000 1.175 768 A CA 1.572 53.499 52.037 -0.182 0.000 0.628 768 A CB -0.560 18.423 19.000 -0.029 0.000 0.814 768 A HN 0.506 nan 8.150 nan 0.000 0.444 769 I N -0.476 119.878 120.570 -0.360 0.000 2.286 769 I HA -0.194 3.974 4.170 -0.002 0.000 0.245 769 I C 2.207 178.241 176.117 -0.139 0.000 1.104 769 I CA 0.834 61.909 61.300 -0.375 0.000 1.397 769 I CB -0.218 37.515 38.000 -0.445 0.000 1.072 769 I HN 0.271 nan 8.210 nan 0.000 0.417 770 L N 0.309 121.452 121.223 -0.134 0.000 2.131 770 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 770 L C 2.214 179.052 176.870 -0.054 0.000 1.092 770 L CA 1.206 55.994 54.840 -0.088 0.000 0.759 770 L CB -0.817 41.182 42.059 -0.101 0.000 0.903 770 L HN 0.374 nan 8.230 nan 0.000 0.435 771 N N -0.434 118.230 118.700 -0.060 0.000 2.043 771 N HA -0.170 4.568 4.740 -0.002 0.000 0.193 771 N C 1.730 177.260 175.510 0.034 0.000 1.037 771 N CA 2.009 55.048 53.050 -0.017 0.000 0.851 771 N CB -0.184 38.284 38.487 -0.030 0.000 1.027 771 N HN 0.293 nan 8.380 nan 0.000 0.422 772 T N 1.336 115.924 114.554 0.057 0.000 2.652 772 T HA -0.138 4.211 4.350 -0.002 0.000 0.267 772 T C 2.036 176.768 174.700 0.053 0.000 1.039 772 T CA 1.501 63.651 62.100 0.084 0.000 1.153 772 T CB -0.342 68.620 68.868 0.156 0.000 0.863 772 T HN 0.357 nan 8.240 nan 0.000 0.428 773 A N 1.166 124.001 122.820 0.025 0.000 1.972 773 A HA -0.046 4.273 4.320 -0.002 0.000 0.219 773 A C 2.220 179.817 177.584 0.022 0.000 1.169 773 A CA 1.255 53.298 52.037 0.010 0.000 0.635 773 A CB -0.320 18.670 19.000 -0.018 0.000 0.810 773 A HN 0.432 nan 8.150 nan 0.000 0.446 774 R N -1.939 118.579 120.500 0.030 0.000 2.362 774 R HA 0.166 4.505 4.340 -0.002 0.000 0.227 774 R C 0.361 176.714 176.300 0.089 0.000 0.905 774 R CA 0.145 56.269 56.100 0.040 0.000 1.067 774 R CB -0.054 30.259 30.300 0.022 0.000 1.078 774 R HN 0.457 nan 8.270 nan 0.000 0.516 775 C N 0.183 119.561 119.300 0.131 0.000 2.688 775 C HA 0.221 4.680 4.460 -0.002 0.000 0.297 775 C C 2.124 177.244 174.990 0.216 0.000 1.308 775 C CA -0.566 58.611 59.018 0.266 0.000 1.726 775 C CB -0.454 27.474 27.740 0.313 0.000 1.982 775 C HN 0.662 nan 8.230 nan 0.000 0.604 776 G N 2.000 110.857 108.800 0.095 0.000 2.462 776 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.220 776 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.220 776 G C 1.585 176.478 174.900 -0.011 0.000 1.121 776 G CA 1.246 46.386 45.100 0.066 0.000 0.758 776 G HN 0.710 nan 8.290 nan 0.000 0.559 777 M N -1.638 117.861 119.600 -0.168 0.000 2.460 777 M HA 0.270 4.749 4.480 -0.002 0.000 0.263 777 M C 0.997 177.046 176.300 -0.420 0.000 1.071 777 M CA 1.146 56.234 55.300 -0.353 0.000 1.096 777 M CB -0.261 32.024 32.600 -0.526 0.000 1.408 777 M HN 0.001 nan 8.290 nan 0.000 0.463 778 F N 1.192 121.173 119.950 0.051 0.000 2.663 778 F HA 0.359 4.885 4.527 -0.003 0.000 0.299 778 F C 1.221 177.072 175.800 0.086 0.000 1.143 778 F CA -0.554 57.483 58.000 0.061 0.000 1.387 778 F CB -0.553 38.473 39.000 0.044 0.000 1.019 778 F HN 0.154 nan 8.300 nan 0.000 0.523 779 S N -0.219 115.577 115.700 0.161 0.000 2.592 779 S HA 0.153 4.622 4.470 -0.002 0.000 0.271 779 S C 1.466 176.168 174.600 0.171 0.000 1.326 779 S CA 0.022 58.319 58.200 0.161 0.000 1.024 779 S CB 0.864 64.125 63.200 0.103 0.000 0.921 779 S HN 0.327 nan 8.310 nan 0.000 0.527 780 S N 2.252 118.077 115.700 0.208 0.000 2.496 780 S HA -0.005 4.464 4.470 -0.002 0.000 0.224 780 S C 0.959 175.641 174.600 0.136 0.000 0.996 780 S CA 0.348 58.712 58.200 0.274 0.000 0.927 780 S CB -0.379 63.067 63.200 0.409 0.000 0.774 780 S HN 0.764 nan 8.310 nan 0.000 0.524 781 D N 2.095 122.546 120.400 0.085 0.000 2.149 781 D HA -0.114 4.525 4.640 -0.002 0.000 0.198 781 D C 2.027 178.331 176.300 0.008 0.000 0.990 781 D CA 0.906 54.925 54.000 0.032 0.000 0.839 781 D CB -0.309 40.500 40.800 0.015 0.000 0.948 781 D HN 0.298 nan 8.370 nan 0.000 0.460 782 R N 0.812 121.319 120.500 0.012 0.000 2.090 782 R HA -0.000 4.339 4.340 -0.002 0.000 0.228 782 R C 2.030 178.307 176.300 -0.039 0.000 1.110 782 R CA 0.735 56.822 56.100 -0.021 0.000 0.973 782 R CB -0.179 30.099 30.300 -0.036 0.000 0.869 782 R HN 0.045 nan 8.270 nan 0.000 0.440 783 S N 1.380 117.081 115.700 0.002 0.000 2.359 783 S HA -0.108 4.360 4.470 -0.002 0.000 0.224 783 S C 1.995 176.530 174.600 -0.108 0.000 1.035 783 S CA 1.167 59.350 58.200 -0.030 0.000 1.018 783 S CB -0.182 63.091 63.200 0.121 0.000 0.876 783 S HN 0.215 nan 8.310 nan 0.000 0.448 784 I N 1.585 122.068 120.570 -0.145 0.000 2.208 784 I HA -0.122 4.046 4.170 -0.002 0.000 0.245 784 I C 2.431 178.505 176.117 -0.071 0.000 1.097 784 I CA 1.357 62.585 61.300 -0.119 0.000 1.363 784 I CB -1.222 36.751 38.000 -0.046 0.000 1.051 784 I HN 0.144 nan 8.210 nan 0.000 0.413 785 R N 1.256 121.722 120.500 -0.057 0.000 2.091 785 R HA -0.154 4.185 4.340 -0.002 0.000 0.238 785 R C 1.884 178.119 176.300 -0.108 0.000 1.136 785 R CA 1.225 57.294 56.100 -0.052 0.000 0.959 785 R CB -0.935 29.340 30.300 -0.042 0.000 0.856 785 R HN 0.347 nan 8.270 nan 0.000 0.437 786 D N -0.929 119.376 120.400 -0.159 0.000 2.104 786 D HA -0.170 4.468 4.640 -0.002 0.000 0.194 786 D C 1.810 177.879 176.300 -0.385 0.000 0.994 786 D CA 1.278 55.130 54.000 -0.248 0.000 0.830 786 D CB -0.295 40.335 40.800 -0.283 0.000 0.959 786 D HN 0.260 nan 8.370 nan 0.000 0.452 787 Y N 1.052 121.033 120.300 -0.532 0.000 2.293 787 Y HA -0.113 4.436 4.550 -0.002 0.000 0.291 787 Y C 2.571 178.021 175.900 -0.751 0.000 1.137 787 Y CA 0.987 58.523 58.100 -0.939 0.000 1.202 787 Y CB -0.175 37.124 38.460 -1.935 0.000 0.990 787 Y HN 0.032 nan 8.280 nan 0.000 0.537 788 Q N -0.437 119.240 119.800 -0.204 0.000 2.020 788 Q HA -0.205 4.134 4.340 -0.002 0.000 0.202 788 Q C 2.608 178.601 176.000 -0.011 0.000 0.982 788 Q CA 1.565 57.391 55.803 0.039 0.000 0.838 788 Q CB -0.400 28.402 28.738 0.107 0.000 0.899 788 Q HN 0.511 nan 8.270 nan 0.000 0.423 789 A N 1.245 124.028 122.820 -0.062 0.000 1.858 789 A HA -0.196 4.123 4.320 -0.002 0.000 0.216 789 A C 1.984 179.533 177.584 -0.058 0.000 1.190 789 A CA 1.529 53.538 52.037 -0.047 0.000 0.617 789 A CB -0.392 18.576 19.000 -0.053 0.000 0.827 789 A HN 0.221 nan 8.150 nan 0.000 0.443 790 R N -1.612 118.806 120.500 -0.136 0.000 2.200 790 R HA 0.292 4.631 4.340 -0.002 0.000 0.208 790 R C 1.078 177.249 176.300 -0.215 0.000 1.033 790 R CA 1.290 57.294 56.100 -0.160 0.000 1.000 790 R CB -0.036 30.122 30.300 -0.237 0.000 0.906 790 R HN 0.588 nan 8.270 nan 0.000 0.462 791 I N -2.992 117.470 120.570 -0.180 0.000 3.663 791 I HA -0.006 4.163 4.170 -0.002 0.000 0.263 791 I C 1.182 177.442 176.117 0.238 0.000 1.104 791 I CA -0.275 61.001 61.300 -0.042 0.000 1.426 791 I CB -0.236 37.621 38.000 -0.238 0.000 1.771 791 I HN -0.011 nan 8.210 nan 0.000 0.402 792 W N 2.295 123.676 121.300 0.136 0.000 2.335 792 W HA -0.106 4.553 4.660 -0.001 0.000 0.311 792 W C 1.748 178.295 176.519 0.047 0.000 1.213 792 W CA 0.852 58.266 57.345 0.115 0.000 1.274 792 W CB -0.867 28.646 29.460 0.089 0.000 1.148 792 W HN 0.222 nan 8.180 nan 0.000 0.498 793 Q N -0.917 119.022 119.800 0.231 0.000 2.188 793 Q HA 0.375 4.714 4.340 -0.002 0.000 0.212 793 Q C 0.473 176.505 176.000 0.053 0.000 0.846 793 Q CA -0.038 55.833 55.803 0.114 0.000 0.989 793 Q CB -0.182 28.615 28.738 0.098 0.000 1.114 793 Q HN 0.015 nan 8.270 nan 0.000 0.488 794 A N 1.109 123.964 122.820 0.058 0.000 2.272 794 A HA 0.408 4.727 4.320 -0.002 0.000 0.275 794 A C 0.179 177.759 177.584 -0.006 0.000 1.096 794 A CA -0.409 51.648 52.037 0.033 0.000 0.822 794 A CB 0.470 19.506 19.000 0.059 0.000 1.088 794 A HN 0.101 nan 8.150 nan 0.000 0.495 795 K N 0.649 121.046 120.400 -0.004 0.000 2.298 795 K HA 0.245 4.563 4.320 -0.002 0.000 0.280 795 K C 0.175 176.749 176.600 -0.044 0.000 1.032 795 K CA -0.111 56.160 56.287 -0.028 0.000 0.958 795 K CB 0.461 32.957 32.500 -0.006 0.000 0.978 795 K HN 0.632 nan 8.250 nan 0.000 0.472 796 R N 0.000 120.442 120.500 -0.097 0.000 2.786 796 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 796 R CA 0.000 56.019 56.100 -0.135 0.000 0.921 796 R CB 0.000 30.158 30.300 -0.236 0.000 0.687 796 R HN 0.000 nan 8.270 nan 0.000 0.535